data_2kbq_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 2kbq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.45 -47.49 69.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.318 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -61.69 -54.74 38.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.676 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.46 -32.84 69.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.503 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' CD1' HG21 ' A' ' 13' ' ' VAL . 15.5 t80 -61.1 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.701 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.52 94.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -65.73 -46.79 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -57.44 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.265 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 9' ' ' PHE . 21.6 t -52.66 -45.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.28 -43.17 99.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.138 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -50.99 45.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -53.66 38.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.32 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -71.72 -70.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 73.77 1.37 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.619 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -109.0 149.29 29.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.26 -46.44 16.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.64 82.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.56 -43.98 93.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.691 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -34.39 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.565 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -46.05 90.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -46.69 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 110.584 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.701 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -42.44 71.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.17 -43.4 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.76 -44.4 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.672 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -36.33 70.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.8 mmt -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.717 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -59.23 -30.08 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -68.15 -52.67 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -74.69 -39.85 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.8 p -74.15 -42.78 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.026 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmt 61.05 39.65 16.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -115.09 102.21 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.44 -30.12 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.12 -36.3 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.99 -50.64 72.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.3 t -62.11 -40.03 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.36 -61.4 7.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.581 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -57.45 -46.58 83.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -55.87 -29.8 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 15.8 mttt -74.17 -49.88 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.684 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.66 -36.56 62.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.337 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.3 p -92.29 -47.14 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.57 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.454 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 6.5 mt -90.82 22.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.689 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.1 m-20 -59.12 -39.06 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.361 . . . . 0.0 110.715 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.26 114.48 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.016 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.89 -29.72 2.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.789 2.326 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -67.57 -28.59 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -88.49 -12.49 42.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.515 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.438 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 13.6 mt -49.69 -49.14 74.65 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 76.4 Cg_exo -49.35 -25.89 10.84 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.469 2.113 . . . . 0.0 112.458 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.17 -35.0 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -50.15 -30.26 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 7.2 m-20 -53.62 -51.44 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.369 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.54 -23.35 61.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.739 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 62' ' ' ILE . 34.3 mm -68.5 -36.59 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 111.474 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -57.44 -59.03 14.16 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.385 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.439 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 72.5 Cg_exo -39.64 -50.72 3.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.175 2.584 . . . . 0.0 113.055 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 9' ' ' PHE . 86.1 mt -65.75 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.403 HG22 ' CB ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -74.16 145.53 83.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.401 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 73.8 Cg_exo -51.42 157.4 4.84 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.836 2.358 . . . . 0.0 112.776 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -32.19 6.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CB ' HG22 ' A' ' 66' ' ' ILE . 14.1 m170 -64.82 -35.44 81.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.661 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.74 -49.85 76.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.347 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.52 -51.8 60.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.676 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' CE1' HG22 ' A' ' 78' ' ' THR . 2.2 t80 -56.39 -42.64 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 109.642 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.637 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -65.61 -32.63 74.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.85 -49.57 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.431 HG22 ' CE1' ' A' ' 74' ' ' TYR . 68.8 p . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.7 0.286 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -65.23 -53.21 47.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.614 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.53 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.611 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 20.2 t80 -62.95 -53.78 48.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -58.64 -42.95 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -53.35 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.301 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -59.02 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.414 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.462 ' CG2' ' CE1' ' A' ' 9' ' ' PHE . 97.8 t -55.69 -48.54 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.51 -42.03 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -68.79 -37.03 79.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.89 -68.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.078 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.44 -65.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.203 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 76.31 1.37 3.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.693 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.63 128.0 45.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.87 -34.25 73.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.75 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.34 -37.36 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.64 -39.92 84.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.4 -31.41 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -46.54 56.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.77 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 27' ' ' TYR . 4.3 pp -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CD2' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -72.32 -37.68 68.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -46.92 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.612 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.42 -38.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.92 -39.61 69.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -46.81 83.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 mtp -74.96 -29.28 60.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.747 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CD2' HD23 ' A' ' 42' ' ' LEU . 45.0 t80 -60.95 -37.28 81.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -47.51 71.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -51.94 12.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.9 p -67.14 -40.67 86.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.243 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.71 67.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 0.0 110.689 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.13 98.04 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.6 t -64.66 -32.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.09 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.8 t -73.5 -36.97 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' A' ' 33' ' ' TYR . 13.2 tp -63.07 -46.54 86.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.011 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 t -57.43 -39.77 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.0 -52.79 45.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.63 -50.97 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.704 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.16 -29.16 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -74.13 -52.51 12.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.259 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -90.17 -46.94 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.434 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.455 HG13 ' CG1' ' A' ' 49' ' ' VAL . 6.6 mt -92.79 23.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LYS . 10.4 p30 -58.2 -40.74 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.5 113.5 3.68 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -41.82 -30.9 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.945 2.43 . . . . 0.0 112.684 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -67.66 -38.32 83.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -76.98 -5.94 50.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.443 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 37.4 mt -51.7 -58.02 12.51 Favored Pre-proline 0 CA--C 1.53 0.202 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 2.1 Cg_endo -45.52 -27.11 3.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.759 2.306 . . . . 0.0 112.526 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tp -56.99 -31.73 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.058 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -51.64 -30.35 21.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -53.73 -48.96 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.111 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.65 -21.69 61.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.453 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.1 mm -71.14 -35.25 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -58.37 18.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.453 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 64.2 Cg_exo -39.68 -48.75 3.47 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.22 2.613 . . . . 0.0 113.026 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mp -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.439 0.638 . . . . 0.0 109.818 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 74' ' ' TYR . 2.5 mt -66.56 138.57 95.65 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.663 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 52.3 Cg_exo -52.66 157.54 7.29 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.623 2.215 . . . . 0.0 112.636 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -74.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.07 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -48.93 -34.49 12.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.026 0.441 . . . . 0.0 110.569 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 12.7 m170 -66.08 -38.06 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -60.49 -44.38 96.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.369 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -59.02 -55.69 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -37.48 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.417 ' CD2' HD13 ' A' ' 66' ' ' ILE . 3.0 t80 -54.03 -40.94 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.67 -32.5 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.412 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -30.11 71.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -90.12 -37.33 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.401 HG21 ' CE1' ' A' ' 74' ' ' TYR . 11.2 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.717 0.294 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -40.36 63.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -61.32 -54.71 40.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.486 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.444 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 15.4 t80 -66.01 -53.09 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.772 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.94 -41.82 75.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -62.62 -51.78 65.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.312 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -64.99 -43.01 93.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.463 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' CG2' ' CE1' ' A' ' 9' ' ' PHE . 85.3 t -53.1 -51.7 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.22 -29.66 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.93 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 pp -82.01 -31.91 30.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.341 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.0 mt -95.56 -80.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 1.44 3.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.754 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -71.72 -17.36 62.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.593 0.235 . . . . 0.0 111.271 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.13 -61.85 0.48 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.38 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.33 73.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.11 -35.61 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -67.26 -35.49 79.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.63 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.74 -33.44 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.287 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -52.52 34.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.13 -34.59 75.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.664 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.68 -35.27 74.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.58 -42.36 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.9 t -64.82 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.29 -46.79 82.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -47.03 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.726 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 mmm -76.19 -29.71 57.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.582 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -72.89 -41.01 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -74.88 -44.0 51.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 p -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.013 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt 61.53 57.32 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.35 96.75 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.05 -31.32 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.79 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.7 t -73.48 -36.63 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.59 -46.85 87.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.92 -40.4 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.55 -59.23 11.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.62 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.03 -50.16 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.94 -29.07 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -72.7 -47.54 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.785 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.17 -37.9 72.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.28 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -86.58 -45.27 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.444 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.4 mt -86.97 13.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.699 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.9 p-10 -53.16 -42.33 66.03 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.8 115.21 8.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -42.72 -31.38 2.04 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.938 2.425 . . . . 0.0 112.635 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 -30.38 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -87.28 -8.92 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.492 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 20.6 mt -46.42 -48.27 46.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.0 Cg_exo -48.57 -25.1 7.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 62' ' ' ILE . 20.4 mt -56.68 -42.12 78.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -49.86 -38.55 35.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 111.193 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 m-20 -53.57 -44.94 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -71.91 -26.57 62.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.585 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 58' ' ' LEU . 28.3 mm -66.22 -38.11 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.399 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.461 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -57.39 -59.8 11.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.317 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.481 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 81.5 Cg_exo -46.12 -52.9 6.49 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.833 2.355 . . . . 0.0 112.986 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.83 -14.62 61.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.582 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.428 HG23 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -93.61 142.61 25.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.712 0.292 . . . . 0.0 111.192 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.7 Cg_endo -46.46 157.48 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.189 2.593 . . . . 0.0 112.922 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -53.39 -68.68 0.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.81 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -45.32 -44.66 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 111.148 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.526 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 8.7 m170 -69.45 -27.39 65.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.275 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 29.9 mt-30 -62.17 -54.74 36.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.167 0.508 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.47 -46.09 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.529 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -37.25 86.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.45 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 2.8 t80 -56.42 -38.99 72.32 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.58 -32.48 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -29.82 70.4 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mt -92.92 -45.34 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.4 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.0 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.405 ' CG1' ' HG2' ' A' ' 64' ' ' PRO . 11.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.694 0.283 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.51 76.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -47.63 84.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 3.6 mt-10 -62.58 -40.28 96.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.455 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.45 ' CE1' HG23 ' A' ' 13' ' ' VAL . 18.5 t80 -60.16 -32.7 71.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.567 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -70.64 -52.09 23.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.352 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.26 -45.31 80.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.229 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -57.98 10.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.103 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.45 HG23 ' CE1' ' A' ' 9' ' ' PHE . 97.6 t -52.53 -44.68 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.32 -29.3 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.003 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.97 -50.81 45.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.43 -45.08 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.567 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.413 HG23 HD13 ' A' ' 17' ' ' ILE . 18.7 mt -88.19 -73.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 74.39 1.26 3.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.77 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -98.36 143.49 28.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -33.86 29.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -51.21 59.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.74 -34.02 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.63 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.404 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 10.5 mtmt -69.62 -35.12 74.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.662 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -72.92 -31.14 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.468 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -70.8 -47.84 57.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.755 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 2.3 pp -65.69 -34.21 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -39.05 82.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.71 -41.55 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.38 -48.67 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -55.13 -38.54 68.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 mtp -83.8 -30.05 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.716 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CZ ' HD21 ' A' ' 42' ' ' LEU . 27.3 t80 -60.15 -32.04 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.758 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -45.14 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.69 -42.36 58.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.9 p -78.63 -37.77 41.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mtt 62.9 41.07 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -107.49 98.8 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.21 -36.88 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.194 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.91 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.244 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.47 -36.3 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD21 ' CZ ' ' A' ' 33' ' ' TYR . 7.5 tp -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.164 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.37 -39.52 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -55.85 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.731 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -61.07 -37.74 83.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -33.91 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -74.01 -51.61 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.035 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mt -56.4 -33.52 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.1 p -89.52 -46.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.399 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.466 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 6.3 mt -92.0 20.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.737 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.9 m-20 -55.09 -41.31 71.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.75 113.94 7.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.698 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -41.43 -28.85 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.051 2.501 . . . . 0.0 112.946 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -67.64 -33.94 75.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -82.21 -12.21 58.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.527 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 27.1 mt -45.67 -57.79 7.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -43.58 -27.99 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.803 2.335 . . . . 0.0 112.862 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -55.21 -32.04 61.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.402 ' CE2' ' OH ' ' A' ' 74' ' ' TYR . 8.2 m-85 -49.94 -36.39 27.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 m-20 -53.77 -46.35 70.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.48 62.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.417 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 58' ' ' LEU . 34.3 mm -67.53 -36.14 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.369 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 7.6 mtm180 -57.28 -59.82 11.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.655 0.264 . . . . 0.0 111.047 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.458 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 75.3 Cg_exo -41.25 -50.57 4.36 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.068 2.512 . . . . 0.0 112.777 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 9' ' ' PHE . 31.1 mt -65.99 -35.23 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 0.0 110.26 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.69 125.01 91.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.666 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.9 Cg_endo -48.43 157.46 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.592 2.195 . . . . 0.0 112.419 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.12 -72.25 0.05 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.64 -179.329 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -51.14 6.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 111.43 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 16.4 m170 -65.14 -27.96 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -54.41 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.061 0.458 . . . . 0.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.97 -49.49 81.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.67 -35.07 79.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.402 ' OH ' ' CE2' ' A' ' 59' ' ' PHE . 29.6 t80 -56.78 -39.85 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.71 -33.25 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.3 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.74 -34.66 78.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.835 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.08 -40.24 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.817 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.709 0.29 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.7 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -63.07 -49.23 75.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.74 -31.45 72.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.44 ' CE2' ' CD1' ' A' ' 65' ' ' LEU . 8.3 t80 -60.38 -47.41 86.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -67.84 -41.95 82.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -64.12 -53.28 52.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -45.85 90.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.214 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.77 -51.64 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.786 0.327 . . . . 0.0 110.72 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -62.2 -29.02 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.91 -50.79 46.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.264 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -56.87 4.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.23 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.29 -70.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 75.2 1.35 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.706 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -96.0 137.45 35.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.31 -40.0 45.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.08 78.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.05 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.12 -34.46 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -71.06 -35.76 72.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.76 -35.96 75.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -66.38 -50.55 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.8 -31.48 72.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.728 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -42.81 90.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.2 -37.97 86.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.723 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 t -60.27 -49.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.09 -43.5 98.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 mmt -82.71 -30.6 29.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.696 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -61.15 -34.03 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -71.79 -44.7 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.77 -44.33 50.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -77.11 -39.35 49.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.066 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.96 55.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -121.95 96.89 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.35 -38.79 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.58 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.79 -36.26 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.64 -51.63 67.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.83 -42.43 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.312 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.13 -61.36 7.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.618 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.51 -49.75 76.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 111.043 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.65 -27.76 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mttp -73.8 -51.46 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -56.99 -32.36 66.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.369 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -90.11 -45.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.324 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 50' ' ' ILE . 29.5 mt -88.46 14.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.525 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.2 p30 -58.58 -38.03 77.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.766 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.2 115.43 9.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -42.72 -30.18 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.839 2.359 . . . . 0.0 112.656 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -67.71 -31.1 70.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -88.85 -0.71 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.518 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.472 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 17.7 mt -55.68 -49.07 94.9 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.533 0.206 . . . . 0.0 111.365 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -52.14 -23.89 18.71 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.371 2.047 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.02 -40.26 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.156 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 50' ' ' ILE . 28.1 m-85 -50.2 -35.68 27.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.247 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.77 -46.25 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.46 62.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.01 -35.78 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.358 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -57.32 -59.64 12.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 66.6 Cg_exo -40.06 -51.65 3.08 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.077 2.518 . . . . 0.0 112.901 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.44 ' CD1' ' CE2' ' A' ' 9' ' ' PHE . 1.9 mt -66.29 -37.36 85.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.07 139.87 95.59 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.527 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 87.4 Cg_exo -47.28 156.1 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.649 2.233 . . . . 0.0 112.733 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -45.52 72.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.373 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -79.4 -34.59 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.66 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 13.1 m-70 -67.69 -33.45 74.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.346 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 8.3 pt20 -67.3 -36.54 81.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.346 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 38.1 t -65.4 -51.88 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.526 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -38.12 81.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.372 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -54.26 -40.45 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.0 109.648 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.64 -34.88 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.247 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.74 -32.27 73.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.83 -34.57 39.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.775 0.321 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.84 83.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 111.211 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.41 -54.69 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.4 -30.33 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.673 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.458 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 9.3 t80 -60.38 -53.86 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -63.71 -40.01 95.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.27 -48.94 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.397 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -47.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.459 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.458 ' CG2' ' CE1' ' A' ' 9' ' ' PHE . 94.4 t -52.66 -49.71 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.722 0.296 . . . . 0.0 111.225 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.92 -32.11 73.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -68.87 -50.77 46.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.45 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.98 -30.21 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.412 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.8 mt -103.1 -74.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 111.331 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 73.92 1.4 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.679 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -98.39 121.1 39.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -33.08 74.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.43 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.71 -35.51 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.806 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -66.94 -35.26 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.602 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.85 -33.33 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.389 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -50.03 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.576 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.85 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -35.02 77.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.61 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.95 -42.19 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.01 -48.34 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.7 -40.68 92.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -56.45 -42.0 77.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.1 ptm -83.07 -28.37 29.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.423 ' CD2' HD22 ' A' ' 42' ' ' LEU . 14.4 t80 -60.14 -34.51 73.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.751 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -48.18 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -74.83 -54.72 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.8 p -62.93 -37.97 89.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt 61.52 34.59 17.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.03 101.86 11.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 t -65.18 -40.63 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.92 77.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.47 -43.45 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD22 ' CD2' ' A' ' 33' ' ' TYR . 4.0 tp -60.54 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.402 HG23 ' CE1' ' A' ' 74' ' ' TYR . 26.3 t -66.69 -40.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.68 -61.36 7.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.604 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -59.43 -46.91 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.64 -29.41 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.1 ttpt -73.68 -44.31 57.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.71 -36.67 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -87.56 -45.55 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.447 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 26.8 mt -86.54 11.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.712 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.7 m-20 -51.83 -43.35 63.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -49.6 115.72 5.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -43.55 -33.92 4.84 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.806 2.337 . . . . 0.0 112.687 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -67.65 -25.58 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -89.92 0.0 57.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.655 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 78.0 mt -56.98 -45.75 99.93 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.451 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.8 Cg_exo -49.8 -25.22 11.36 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.295 1.996 . . . . 0.0 112.525 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -47.06 83.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -49.95 -37.63 32.9 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.139 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.73 -44.52 69.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -71.89 -27.8 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.435 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.54 -37.31 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.594 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -57.19 -59.76 11.73 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.469 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 85.5 Cg_exo -41.81 -48.72 5.82 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.048 2.498 . . . . 0.0 112.883 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 9' ' ' PHE . 36.5 mt -66.13 -33.23 75.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.147 0.499 . . . . 0.0 110.563 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -81.44 141.3 48.97 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.887 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.1 Cg_endo -46.79 157.38 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.02 2.48 . . . . 0.0 112.67 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -50.87 -70.66 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.513 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -42.32 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 25.2 m170 -68.92 -30.93 69.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.176 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 40.0 mt-30 -63.14 -49.08 75.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.24 -49.88 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.14 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -41.79 95.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.402 ' CE1' HG23 ' A' ' 43' ' ' VAL . 38.7 t80 -53.83 -39.42 65.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.2 0.524 . . . . 0.0 109.674 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -72.75 -30.99 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.355 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.72 -30.0 70.61 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.39 -38.9 13.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.742 0.306 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.24 69.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.229 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -52.04 62.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.586 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -32.96 70.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.34 -48.5 79.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.565 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -59.21 -42.0 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -68.59 -45.33 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -55.6 24.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.44 -44.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.69 -40.85 93.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.772 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -68.84 -35.92 77.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.937 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mt -81.55 -66.85 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.8 mt -68.77 -60.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.252 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 75.84 1.31 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.673 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -99.98 178.73 4.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.68 -39.26 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -46.84 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.59 -41.39 97.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.5 ttmt -66.68 -31.62 72.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.59 64.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -47.15 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.817 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 2.3 pp -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -38.44 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.592 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.22 -42.48 96.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.98 -42.21 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.34 -45.4 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.732 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -55.88 -39.19 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.5 mtp -82.8 -32.15 27.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CD2' HD21 ' A' ' 42' ' ' LEU . 10.8 t80 -59.66 -30.27 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.57 -48.69 59.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -74.7 -42.9 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.8 p -75.7 -38.74 58.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 64.64 37.51 7.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -105.92 98.98 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.64 -45.66 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.8 68.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -73.46 -36.34 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 33' ' ' TYR . 7.0 tp -68.74 -49.76 56.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.22 -46.14 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.255 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.11 -53.91 36.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -47.07 87.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.2 mt -57.58 -33.78 68.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -42.39 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.1 -53.09 61.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -64.08 -46.06 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.286 0.565 . . . . 0.0 110.474 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.481 HG22 ' HD3' ' A' ' 55' ' ' ARG . 28.9 mt -66.53 -87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.441 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 52.08 41.2 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.718 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 43.2 mt-10 -158.8 125.95 2.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.967 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.66 -26.32 45.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 0.0 112.226 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -67.74 -30.48 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HD3' HG22 ' A' ' 50' ' ' ILE . 8.1 mtp85 -89.37 -14.06 36.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.508 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.2 mt -47.36 -49.78 51.87 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.386 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 66.6 Cg_exo -50.81 -25.08 14.66 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.311 2.007 . . . . 0.0 112.233 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -38.92 80.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 34.3 m-85 -50.24 -35.54 27.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 t70 -53.89 -49.48 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.234 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.94 61.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.669 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.49 -35.22 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.33 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -57.9 -59.31 13.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.339 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 64.7 Cg_exo -39.67 -52.62 2.55 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.262 2.641 . . . . 0.0 113.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -29.88 70.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.784 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.8 138.65 66.08 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.44 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.4 Cg_endo -49.48 157.57 2.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.724 2.283 . . . . 0.0 112.573 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.23 -71.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.532 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -43.03 -47.08 5.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.44 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 23.0 m170 -64.78 -37.29 87.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.01 89.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.473 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.5 t -59.22 -55.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.46 -37.63 84.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.693 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -54.62 -39.93 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.19 0.519 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -32.55 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.443 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.75 -29.82 70.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.75 -40.12 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.324 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.674 0.273 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.88 73.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.002 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -46.35 87.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.487 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -35.55 80.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -60.24 -49.65 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.49 87.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.612 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -37.03 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -54.65 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.7 t -53.16 -47.84 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.208 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -59.18 -37.66 77.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -41.51 78.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mt -82.81 -67.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.1 mt -73.5 -65.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.252 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 76.71 1.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.53 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -95.48 117.26 30.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -59.01 -34.1 71.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.81 -57.51 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -35.82 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.519 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -68.29 -45.09 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.688 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.572 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -51.42 35.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.695 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.33 -31.74 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.801 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -39.02 85.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.582 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.62 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.3 t -60.2 -45.36 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.94 -47.69 82.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -37.95 69.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.793 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 mtp -79.92 -31.59 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.603 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.38 -35.07 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -63.96 -51.17 65.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -74.7 -52.54 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.8 p -62.99 -41.16 99.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.87 39.95 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.57 100.68 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.0 t -67.13 -31.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.3 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.26 -36.47 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.63 -41.95 95.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -67.5 -50.48 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.18 -46.88 93.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.63 -44.65 96.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.33 -40.98 92.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -43.44 80.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.6 mt -53.93 -53.04 58.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -68.83 -46.09 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.16 0.505 . . . . 0.0 110.491 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 84.2 mt -65.78 -85.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.3 p30 45.54 39.46 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.678 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 37.4 mt-10 -153.23 123.78 3.47 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.116 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.23 -25.58 24.05 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.527 2.151 . . . . 0.0 112.46 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.3 p -67.66 -30.8 70.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' A' ' 50' ' ' ILE . 21.2 mtt-85 -92.14 -7.01 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.511 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.9 mt -45.71 -55.82 11.57 Favored Pre-proline 0 CA--C 1.53 0.188 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.5 Cg_endo -46.36 -24.34 2.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.828 2.352 . . . . 0.0 112.702 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -29.52 70.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.766 0.317 . . . . 0.0 111.04 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CE2' HD13 ' A' ' 50' ' ' ILE . 38.8 m-85 -61.52 -51.42 68.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.719 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.9 p30 -53.56 -38.07 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.153 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 -28.59 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.377 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.411 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 18.6 mt -69.18 -35.94 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.56 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -57.17 -56.65 31.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.614 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 29.6 Cg_exo -36.32 -52.82 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.6 2.866 . . . . 0.0 113.909 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -65.7 -30.33 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -73.74 149.96 88.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.82 156.3 15.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.69 2.26 . . . . 0.0 112.559 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -67.83 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.61 39.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.4 -37.34 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -59.95 -47.48 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.008 0.433 . . . . 0.0 110.598 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -56.8 -52.57 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.84 -33.31 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 78' ' ' THR . 7.8 t80 -54.13 -43.49 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.697 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.75 -36.34 67.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.44 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.75 -30.94 71.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.92 -36.6 18.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.419 HG23 ' CE1' ' A' ' 74' ' ' TYR . 82.8 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.688 0.28 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.97 82.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -59.93 -54.8 41.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -30.46 71.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.577 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.449 ' CD1' HG22 ' A' ' 13' ' ' VAL . 31.0 t80 -61.41 -53.8 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.79 93.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -62.24 -53.26 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 8.3 ptmt -65.1 -43.07 93.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.199 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 9' ' ' PHE . 60.8 t -52.49 -45.56 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -71.89 -30.51 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.729 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.82 -50.99 45.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.457 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.76 -35.21 44.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.448 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.1 mt -96.61 -65.99 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.78 1.26 3.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.7 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -96.48 116.62 29.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.31 -34.36 70.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.31 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.9 -36.93 81.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -71.85 -35.6 69.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -34.56 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 78.0 t80 -69.08 -49.35 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.674 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.24 -33.27 75.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.598 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.88 -37.32 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.86 -39.47 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.21 -46.88 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.47 -44.68 77.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -56.15 -39.83 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.76 -28.6 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' HD22 ' A' ' 42' ' ' LEU . 11.9 t80 -58.66 -35.23 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -74.68 -55.0 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.31 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -73.02 -31.73 64.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.238 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.35 36.76 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.93 96.97 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 t -63.69 -36.13 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.58 -37.45 78.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 33' ' ' TYR . 26.1 tp -58.32 -47.0 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.5 -39.42 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.77 -61.35 7.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.634 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.414 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 4.1 m-20 -57.5 -53.79 54.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.994 0.425 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.2 mt -50.76 -28.24 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.727 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 12.7 ttmt -74.12 -44.34 54.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.27 -32.22 66.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.566 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.48 -30.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 59' ' ' PHE . 16.2 mt -108.37 25.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -75.44 -6.66 51.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 111.205 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -97.45 116.71 65.91 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.477 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -37.73 -29.7 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.41 2.74 . . . . 0.0 113.318 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -92.16 3.02 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.921 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.44 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 10.7 mt -53.9 -49.73 87.85 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.562 0.22 . . . . 0.0 111.238 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 71.4 Cg_exo -48.89 -25.59 8.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.151 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 tp -55.62 -42.22 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.195 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 50' ' ' ILE . 32.0 m-85 -50.15 -33.79 20.13 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -53.69 -49.67 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.89 -27.46 62.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.778 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 62' ' ' ILE . 59.9 mt -67.75 -30.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.438 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 3.4 mtp180 -63.01 -59.38 12.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.205 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.492 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 72.6 Cg_exo -41.84 -52.59 3.85 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.076 2.517 . . . . 0.0 113.108 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.5 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.336 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.9 141.81 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.82 157.2 13.28 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 112.215 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -66.67 0.35 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -46.81 29.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.471 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 8.3 m170 -65.23 -29.89 70.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.948 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -54.13 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.143 0.497 . . . . 0.0 110.626 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -57.66 -48.51 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -39.82 94.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -54.05 -39.86 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -72.58 -32.1 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -65.76 -30.32 70.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.0 mt -88.85 -45.61 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.052 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.899 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.715 0.293 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.65 83.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.0 ttt-85 -62.45 -47.5 83.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.247 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.94 -30.37 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.379 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.451 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 31.1 t80 -62.89 -50.14 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.45 -45.52 93.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -63.63 -53.22 54.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.256 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -55.34 -43.49 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.811 0.338 . . . . 0.0 110.799 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.58 -34.06 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.97 -50.88 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.263 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.88 -52.19 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.9 mm -71.13 -70.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.94 1.38 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.778 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -111.79 165.54 11.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.813 0.339 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.56 -41.54 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.93 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.032 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.84 -45.02 93.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -59.15 -38.67 80.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.501 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -44.83 86.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.702 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -45.5 85.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.06 -35.02 77.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -45.82 83.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.23 -47.64 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.01 -49.31 75.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.89 -41.28 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.5 mtp -77.59 -31.44 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.59 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CE2' HD23 ' A' ' 42' ' ' LEU . 22.2 t80 -62.34 -31.57 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -70.77 -47.04 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -74.54 -37.74 62.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.039 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -78.77 -42.42 28.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.31 45.25 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -128.65 104.27 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.35 -30.38 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.36 96.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -73.54 -36.3 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 33' ' ' TYR . 12.2 tp -63.83 -52.27 60.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.69 -39.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.26 -61.29 7.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -59.45 -51.73 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.3 mt -54.94 -28.55 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.8 mtmt -73.99 -52.45 12.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.796 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt -53.94 -33.24 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.293 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.08 -45.37 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.415 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 HG13 ' CG1' ' A' ' 49' ' ' VAL . 12.6 mt -91.34 20.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.8 m-20 -61.36 -38.4 86.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.931 0.396 . . . . 0.0 110.679 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -52.11 115.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -42.88 -30.64 1.88 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.852 2.368 . . . . 0.0 112.714 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -67.69 -30.32 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -89.74 -0.44 57.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.515 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 18.8 mt -55.98 -47.75 98.14 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.25 -23.88 19.25 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 0.0 112.536 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.63 -45.34 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.323 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CE2' HG23 ' A' ' 50' ' ' ILE . 51.7 m-85 -50.2 -30.23 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.529 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 t0 -53.84 -56.82 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.329 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' CB ' ' HE2' ' A' ' 12' ' ' LYS . . . -71.67 -18.67 62.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.926 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.8 mt -74.49 -30.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.549 0.214 . . . . 0.0 111.555 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 2.6 mtt180 -65.36 -54.33 32.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.303 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' A' ' 63' ' ' ARG . 84.8 Cg_exo -42.05 -52.45 4.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.946 2.431 . . . . 0.0 113.391 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.52 -22.34 66.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.399 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.2 149.12 61.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.25 157.43 3.08 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.676 2.251 . . . . 0.0 112.666 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -72.48 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.001 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -32.35 25.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -65.68 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.02 -51.61 68.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.006 0.431 . . . . 0.0 110.671 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.25 -50.58 76.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.032 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.14 -38.94 93.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -54.05 -40.38 67.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -31.7 65.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -65.7 -30.46 71.15 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -90.6 -40.28 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.126 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -67.92 -54.32 19.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.745 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.41 -33.28 69.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.665 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 15.3 t80 -64.12 -52.59 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.662 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -61.42 -53.36 57.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 1.1 ptmt -61.2 -41.54 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.964 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 89.2 t -52.5 -51.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.738 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -32.94 74.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.229 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -40.43 79.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.799 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.8 mt -71.38 -66.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 75.97 1.15 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.677 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -96.92 130.26 44.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -68.49 -33.1 73.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.34 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.08 -39.54 94.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.21 -31.2 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.742 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.97 -32.3 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -49.09 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.736 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.61 -33.57 76.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -36.74 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.631 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -68.87 -37.72 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.23 -45.97 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.04 -45.55 88.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -39.26 75.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.28 -30.44 30.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.703 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 39.1 t80 -61.46 -32.17 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.1 -44.05 63.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.75 -41.66 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 p -78.71 -41.2 31.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.015 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm 64.02 40.2 7.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.52 106.16 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.39 -33.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.9 89.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -73.44 -37.96 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.419 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 11.1 tp -62.85 -52.25 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.2 t -62.49 -39.37 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.38 -61.16 7.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.647 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.36 -47.38 86.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.991 0.424 . . . . 0.0 110.822 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ASN . 17.7 ttmt -74.01 -45.49 49.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.76 -37.13 70.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.32 -45.01 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.306 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 23.5 mt -87.6 15.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.646 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.3 p30 -55.67 -41.56 73.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.903 0.382 . . . . 0.0 110.949 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -49.84 114.84 4.56 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -41.44 -30.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.949 2.433 . . . . 0.0 112.763 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -38.17 83.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' CB ' HG21 ' A' ' 50' ' ' ILE . 70.2 mtt180 -78.9 -3.75 46.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.599 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.505 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 28.5 mt -53.19 -58.86 10.76 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.2 Cg_endo -48.64 -24.75 7.04 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.712 2.275 . . . . 0.0 112.575 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.26 -38.47 71.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 50' ' ' ILE . 24.4 m-85 -51.25 -30.71 18.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 14.3 m-20 -53.83 -49.25 68.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.185 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 9' ' ' PHE . . . -72.35 -18.98 61.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.039 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.5 mt -74.38 -43.16 49.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.47 -51.82 78.86 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.053 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 56.2 Cg_exo -38.53 -53.7 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.138 2.559 . . . . 0.0 114.204 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.34 -28.7 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.171 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.406 HD13 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -69.86 151.33 96.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.79 157.35 2.62 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.802 2.335 . . . . 0.0 112.617 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.069 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -30.69 9.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -67.13 -36.18 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.624 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.98 -51.98 67.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.092 0.472 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.23 -48.55 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.87 -38.54 89.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.754 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -53.94 -40.83 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.22 0.533 . . . . 0.0 109.749 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -72.71 -33.64 66.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.515 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.77 -27.89 68.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.58 -40.5 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.8 p . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.735 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.07 -39.63 72.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.43 -54.68 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.424 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -34.28 76.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.298 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.427 ' CD1' HG22 ' A' ' 13' ' ' VAL . 26.3 t80 -60.1 -52.31 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -57.43 -42.01 81.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -69.11 -36.79 77.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.683 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.53 -58.82 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 HG22 ' CD1' ' A' ' 9' ' ' PHE . 36.1 t -52.57 -43.24 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.05 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -41.81 77.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.928 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -65.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.3 mt -77.54 -68.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.227 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.54 1.32 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -94.14 162.49 13.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -93.43 -38.13 11.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.85 64.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -58.19 -44.4 88.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.679 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -58.32 -40.1 81.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.07 -37.1 86.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.484 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.417 ' CG ' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -62.31 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -47.67 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.388 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.6 -35.38 70.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.3 -40.3 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.783 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.94 -43.42 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -60.0 -37.17 78.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 mmt -85.02 -30.88 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CG ' HD12 ' A' ' 42' ' ' LEU . 24.6 t80 -61.96 -33.76 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.0 -43.8 56.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -39.65 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -78.81 -41.14 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.24 61.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.05 107.58 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -58.84 -34.73 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.06 81.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.7 t -73.45 -36.39 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.419 HD12 ' CG ' ' A' ' 33' ' ' TYR . 19.3 tp -58.98 -52.2 66.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.092 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.76 -39.62 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.83 -59.07 11.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.554 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.2 -49.53 77.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 111.059 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -32.56 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -73.5 -42.07 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.69 -53.12 61.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.5 p -62.01 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.629 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.476 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 72.8 mt -62.03 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.667 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 51.93 26.36 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.948 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' CD ' ' A' ' 55' ' ' ARG . 7.9 mm-40 -145.88 121.04 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.896 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -50.99 -25.23 15.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.357 2.038 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -27.72 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 50' ' ' ILE . 18.8 mtt-85 -92.16 -7.28 48.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.616 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.4 mt -49.54 -50.42 66.13 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-O 120.583 0.23 . . . . 0.0 111.33 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 73.2 Cg_exo -50.49 -24.42 12.35 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.409 2.073 . . . . 0.0 112.518 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.99 -43.15 73.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.144 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.451 ' CZ ' ' CD1' ' A' ' 50' ' ' ILE . 20.1 m-85 -50.13 -30.48 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.114 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.7 t70 -53.83 -52.77 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.81 -22.72 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.766 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.408 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 65.2 mt -71.51 -30.34 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 111.552 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -64.98 -56.65 19.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.568 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 63.4 Cg_exo -39.99 -53.02 2.6 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.18 2.587 . . . . 0.0 113.532 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.09 -31.22 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 179.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.96 135.82 66.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.728 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 6.5 Cg_endo -49.59 157.49 2.31 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.783 2.322 . . . . 0.0 112.639 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.37 -70.44 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.546 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.94 -49.68 5.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.965 0.412 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.9 m170 -67.47 -30.1 69.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.716 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -54.03 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 110.247 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.5 -47.9 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -65.5 -36.93 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.604 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -54.37 -42.54 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -31.66 65.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.12 71.96 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.94 -45.25 9.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.7 p . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -179.841 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.677 0.275 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.56 84.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -65.21 -54.49 28.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -33.54 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -60.49 -50.31 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.504 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.21 -45.31 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -66.23 -40.21 90.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -58.55 8.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -52.44 -46.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.171 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.39 -40.67 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.677 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -44.72 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.58 -67.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.7 mt -77.86 -67.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.194 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 76.05 1.06 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.69 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.99 114.4 26.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.33 -36.14 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.12 -56.13 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.92 -35.09 74.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 3.7 mtmp? -66.93 -34.81 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.69 64.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.342 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.88 -49.06 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.569 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 3.2 pp -64.64 -33.87 76.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -34.05 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.587 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.58 -45.43 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -64.69 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.42 -46.03 91.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -57.71 -45.69 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -31.85 66.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.577 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.425 ' CD2' HD13 ' A' ' 42' ' ' LEU . 13.8 t80 -61.4 -34.61 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -48.45 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -74.88 -44.34 49.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.0 p -72.53 -33.87 67.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt 60.76 51.32 4.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.66 96.27 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.42 -44.89 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.01 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.2 t -73.48 -37.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 33' ' ' TYR . 6.5 tp -64.57 -45.04 88.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.16 -44.93 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.88 -61.63 7.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.75 -50.47 68.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.82 0.343 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.89 -27.5 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.96 -52.79 11.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.794 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.02 -34.43 59.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.77 -45.24 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.246 -179.677 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' CG1' ' A' ' 49' ' ' VAL . 17.5 mt -90.89 20.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.541 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.8 p30 -57.56 -39.91 77.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -50.03 113.44 3.44 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.44 -30.77 2.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.794 2.329 . . . . 0.0 112.712 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -67.68 -30.78 70.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' CB ' HG23 ' A' ' 50' ' ' ILE . 78.7 mtt180 -84.62 -14.09 49.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.468 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 26.2 mt -46.68 -58.58 6.57 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.4 Cg_endo -44.42 -27.54 2.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.8 2.334 . . . . 0.0 112.703 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.65 -41.02 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 50' ' ' ILE . 25.3 m-85 -50.22 -30.09 10.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 74.0 m-20 -53.54 -51.72 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.69 -18.35 62.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.695 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.41 -34.67 36.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.66 0.267 . . . . 0.0 111.556 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.401 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 2.3 ttp180 -60.39 -56.74 32.33 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.229 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.483 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 92.1 Cg_exo -45.7 -52.71 6.49 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.862 2.375 . . . . 0.0 112.791 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.87 -15.57 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.387 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.408 HG23 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -82.26 158.68 66.33 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.683 0.278 . . . . 0.0 111.2 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 51.0 Cg_exo -55.48 157.51 14.87 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.772 2.314 . . . . 0.0 112.531 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -51.76 -68.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.04 -36.16 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.8 m170 -63.68 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.064 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -60.24 -56.18 24.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.163 0.506 . . . . 0.0 110.568 179.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.08 -46.46 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.59 -41.1 96.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -53.96 -39.58 66.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.174 0.511 . . . . 0.0 109.642 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.79 -31.64 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.44 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -65.63 -32.76 74.51 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.83 -38.58 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.32 -46.1 83.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.331 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -54.79 41.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.72 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.78 -30.4 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.402 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.451 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 11.2 t80 -63.97 -54.03 40.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -57.12 -45.05 83.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -57.82 -52.98 63.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 4.2 ptpt -62.54 -31.51 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 88.6 t -60.75 -51.56 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.672 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.96 -33.82 74.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.47 -71.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -56.69 -58.36 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 77.3 -4.22 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -111.94 169.06 9.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.766 0.317 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -102.68 -41.9 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.55 86.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.31 -50.86 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -32.49 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -31.56 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -41.27 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.77 -45.99 73.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.482 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -63.74 -34.29 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.09 -45.15 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.3 -43.04 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.52 -46.08 91.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -56.51 -40.8 75.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.64 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.57 -30.86 47.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.536 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CE2' HD22 ' A' ' 42' ' ' LEU . 16.3 t80 -61.54 -31.73 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.615 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.25 -44.12 69.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -40.84 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.7 p -78.69 -37.01 42.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 mmt 61.64 30.94 18.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 97.56 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.14 -38.96 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.43 81.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.25 -36.4 49.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 33' ' ' TYR . 50.3 tp -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.63 -39.93 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.187 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.53 -57.09 20.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -59.99 -45.54 92.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.26 -29.52 65.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.3 tptt -74.05 -52.75 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 0.0 110.987 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.94 -33.98 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.418 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.6 p -92.1 -47.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 0.0 111.544 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.478 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 7.9 mt -90.54 21.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.652 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 m-20 -58.64 -41.3 85.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.31 115.5 7.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -43.2 -30.09 2.03 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.925 2.417 . . . . 0.0 112.73 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 m -67.73 -29.95 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -88.88 -8.52 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.586 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 12.8 mt -53.19 -49.94 85.06 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-O 120.475 0.178 . . . . 0.0 111.421 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 68.6 Cg_exo -50.8 -24.87 14.2 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.461 2.107 . . . . 0.0 112.359 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -57.66 -31.86 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -50.02 -35.71 25.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.957 0.408 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -53.77 -48.86 69.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.451 ' CB ' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -18.42 62.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.771 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 58' ' ' LEU . 35.7 mm -74.47 -38.35 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.475 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.596 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -57.32 -53.64 63.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.29 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' A' ' 63' ' ' ARG . 82.7 Cg_exo -40.77 -51.41 3.63 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.883 2.389 . . . . 0.0 112.814 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.92 -36.89 84.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.173 0.511 . . . . 0.0 110.211 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.23 121.54 78.94 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.761 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.0 Cg_endo -48.59 157.75 1.35 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -49.82 -68.47 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.414 -179.321 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -44.93 -45.66 10.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 111.218 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.46 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 21.5 m170 -66.46 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.534 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.55 85.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.82 -52.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.647 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -38.1 89.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' CD1' HG21 ' A' ' 78' ' ' THR . 27.4 t80 -54.75 -39.21 68.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.6 -33.38 66.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.378 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.63 -29.3 69.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mt -88.54 -42.22 12.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 74' ' ' TYR . 34.8 p . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.807 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.787 0.327 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.17 92.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -63.79 -54.67 31.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.96 -30.72 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CD2' ' HB3' ' A' ' 61' ' ' ALA . 11.7 t80 -62.0 -53.98 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.68 -38.11 86.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -63.77 -48.37 77.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.343 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -69.4 -34.38 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.575 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 97.7 t -61.07 -50.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -36.73 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -68.77 -44.52 73.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -84.87 -22.14 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.601 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.4 mt -111.37 -81.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 0.0 111.3 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 72.57 1.42 3.98 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.716 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -71.73 -19.78 61.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.669 0.271 . . . . 0.0 111.28 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.31 -61.91 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 111.065 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.25 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.6 mtmp? -63.6 -43.42 96.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -36.34 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 110.015 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.56 -57.08 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.314 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 23' ' ' LYS . 3.0 pp -59.56 -28.9 67.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.415 ' N ' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -69.19 -37.32 78.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -43.17 76.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.751 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.74 -43.21 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.37 -51.67 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -37.51 75.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mtp -80.16 -30.71 38.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.638 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CG ' HD13 ' A' ' 42' ' ' LEU . 29.7 t80 -62.27 -35.79 80.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -73.17 -39.44 65.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -74.81 -46.34 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -78.78 -39.77 35.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 mtp 65.68 46.31 2.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -118.09 102.48 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.72 -39.55 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.29 91.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.8 t -71.52 -36.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.415 HD13 ' CG ' ' A' ' 33' ' ' TYR . 8.3 tp -62.14 -50.83 70.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.1 t -56.62 -44.25 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.91 -56.06 26.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.788 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -58.3 -55.54 33.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.099 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -26.8 16.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' ASN . 16.1 tttm -73.83 -50.38 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.35 -33.19 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -89.04 -45.35 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.353 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.439 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.6 mt -88.39 14.3 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.506 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.5 p-10 -55.49 -39.06 69.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 114.07 7.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -42.11 -30.55 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.948 2.432 . . . . 0.0 112.755 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -30.99 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -88.67 -3.0 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.654 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 16.0 mt -53.39 -49.13 89.96 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 120.456 0.169 . . . . 0.0 111.341 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 52.9 Cg_exo -54.76 -24.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.344 2.029 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.3 tp -58.26 -34.56 70.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -50.04 -37.94 35.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 21.2 t70 -53.76 -45.18 70.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB3' ' CD2' ' A' ' 9' ' ' PHE . . . -71.7 -26.56 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.415 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.4 mm -67.13 -34.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.225 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -57.24 -59.47 12.67 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.443 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 65.1 Cg_exo -38.36 -48.41 2.43 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.305 2.67 . . . . 0.0 112.935 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD12 ' CD2' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -66.21 -41.54 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.187 0.517 . . . . 0.0 110.119 179.672 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.408 HG23 ' CB ' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -62.68 141.36 97.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.601 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.09 157.48 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.617 2.211 . . . . 0.0 112.729 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -72.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.62 54.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' CB ' HG23 ' A' ' 66' ' ' ILE . 16.8 m170 -62.7 -36.63 83.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' CG ' HG21 ' A' ' 66' ' ' ILE . 38.3 mt-30 -60.18 -45.27 93.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.059 0.457 . . . . 0.0 110.423 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.4 t -58.93 -53.27 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.685 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -63.18 -37.99 89.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.06 -39.66 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.117 0.484 . . . . 0.0 109.744 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.69 -34.24 67.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.283 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.61 -29.87 70.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -88.36 -28.45 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.866 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.712 0.291 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.38 80.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.203 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -50.56 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.23 -35.82 76.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -46.5 88.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -65.61 -41.81 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.654 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.23 -58.91 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 t -53.04 -41.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.412 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.78 -40.04 72.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.87 -38.07 79.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.06 -56.7 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 mm -68.31 -67.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 75.92 1.36 3.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.551 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -111.94 171.47 7.48 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.39 -36.87 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.03 16.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -59.56 -39.27 83.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -30.65 70.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.87 -31.95 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.356 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -49.4 54.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.586 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -66.31 -34.84 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.796 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.0 -37.15 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -70.27 -36.54 74.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 t -62.72 -49.3 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.47 -43.95 97.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -36.19 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.8 mmt -79.32 -35.78 40.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.781 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -58.85 -36.29 74.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -61.51 -53.6 54.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -74.76 -54.48 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.2 p -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.072 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.94 60.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -137.56 108.64 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.42 -39.28 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.88 83.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.46 -36.39 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.9 tp -66.98 -52.09 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -65.84 -46.36 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.35 -52.13 53.48 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.645 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -63.4 -48.12 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 111.001 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -56.95 -34.38 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -42.46 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.47 -53.09 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.983 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -65.75 -45.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.215 0.531 . . . . 0.0 110.566 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 55' ' ' ARG . 81.2 mt -68.05 -86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.679 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 52.51 33.93 14.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.62 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 1.3 mt-10 -148.27 121.6 4.7 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.967 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -51.77 -25.07 19.78 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.501 2.134 . . . . 0.0 112.307 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.4 p -67.77 -29.13 68.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -92.05 -17.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.322 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.433 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.6 mt -43.08 -50.39 14.23 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.501 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 68.1 Cg_exo -50.78 -25.15 14.72 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.436 2.09 . . . . 0.0 112.312 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -56.28 -43.79 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 t70 -53.34 -51.7 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -21.13 61.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.5 mt -72.12 -30.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.437 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -56.95 18.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.545 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 67.9 Cg_exo -40.64 -53.19 2.87 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.188 2.592 . . . . 0.0 113.399 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.361 0.601 . . . . 0.0 110.045 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.76 140.28 96.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.85 155.05 0.6 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.731 2.287 . . . . 0.0 112.759 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -74.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -46.89 -36.94 8.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.222 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -64.9 -38.51 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.87 -45.65 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.05 0.452 . . . . 0.0 110.643 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.93 -53.2 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.016 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -38.6 91.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -53.89 -40.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.15 0.5 . . . . 0.0 109.753 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.79 -32.78 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.536 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -31.54 72.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.04 -33.9 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.712 0.291 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.02 -47.58 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.34 33.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.404 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.14 -32.26 69.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.403 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' CE1' HG22 ' A' ' 13' ' ' VAL . 14.1 t80 -60.21 -53.05 62.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -57.33 -43.25 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -66.97 -41.96 85.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -58.87 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 9' ' ' PHE . 26.7 t -52.69 -43.74 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.04 -41.54 99.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -50.77 47.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -66.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.14 -70.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 73.93 1.26 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.727 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -97.99 124.09 42.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.832 0.348 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -60.23 -39.45 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.78 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.012 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.88 -38.5 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -65.26 -33.98 77.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.8 -31.67 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.93 -48.14 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.81 -37.01 85.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -34.37 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.2 -40.4 78.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.89 -49.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.747 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.82 -37.79 83.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -64.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -31.27 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.598 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CE2' HD12 ' A' ' 66' ' ' ILE . 21.1 t80 -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.682 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -39.57 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -74.8 -45.76 41.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.2 p -78.64 -37.59 41.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.1 mmt 62.06 54.57 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -128.06 99.44 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.9 -30.71 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.64 93.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.5 t -73.51 -36.39 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.103 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -55.79 -44.68 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.088 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.447 ' N ' ' CG1' ' A' ' 43' ' ' VAL . . . -58.01 -59.01 11.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.579 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -42.49 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.26 -33.09 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -73.98 -50.55 19.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.721 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.6 mt -49.97 -38.39 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.408 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.1 p -91.43 -46.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.474 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.459 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 8.6 mt -89.95 24.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.598 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LYS . 16.5 p30 -57.01 -43.09 81.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.811 0.339 . . . . 0.0 111.037 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.9 116.59 2.42 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.446 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -44.23 -50.31 7.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.906 2.404 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -19.79 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.052 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -19.79 29.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.265 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 14.9 mt -51.26 -48.97 84.35 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.566 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 83.4 Cg_exo -45.17 -28.5 3.52 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.547 2.164 . . . . 0.0 112.653 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -29.9 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -50.16 -31.94 14.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 5.1 t70 -53.74 -47.62 70.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.55 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 31.3 mm -73.09 -43.25 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.66 -52.77 71.04 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.4 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 75.1 Cg_exo -39.46 -52.2 2.54 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.972 2.448 . . . . 0.0 113.017 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.64 -30.67 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.92 152.48 95.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.444 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 50.6 Cg_exo -53.35 157.68 8.64 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -72.17 0.05 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -30.21 49.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.444 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 10.2 m170 -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.88 -50.53 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.046 0.451 . . . . 0.0 110.569 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 t -58.95 -48.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.88 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -67.14 -37.19 83.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -53.93 -43.69 70.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.173 0.511 . . . . 0.0 109.767 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.75 -31.17 64.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.484 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -65.58 -32.75 74.5 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.01 -35.51 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.431 ' CG1' ' CB ' ' A' ' 64' ' ' PRO . 2.7 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.693 0.283 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.84 70.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -54.81 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.427 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -59.3 -33.09 70.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.461 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.19 -53.81 53.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -39.49 73.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -35.39 70.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -58.71 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.43 -46.22 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -57.92 -44.34 86.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.92 -36.5 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.7 mt -78.93 -73.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.8 mt -73.27 -66.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.206 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 76.41 1.36 3.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.578 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -92.05 118.63 30.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.836 0.35 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -59.38 -35.18 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.96 76.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -34.14 77.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.804 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -69.82 -33.7 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -72.78 -33.69 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -50.08 47.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.548 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.52 -31.99 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.799 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -69.92 -37.68 75.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.591 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -42.59 89.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.2 t -62.89 -44.11 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.64 -45.42 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -55.48 -38.39 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mtp -81.24 -28.36 34.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CG ' HD13 ' A' ' 42' ' ' LEU . 66.5 t80 -66.75 -27.0 67.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -52.46 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.403 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -36.06 62.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.59 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.3 p -78.54 -44.53 24.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.351 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt 64.39 43.07 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -111.13 98.1 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -62.25 -40.58 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.85 75.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.005 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.48 -36.39 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 33' ' ' TYR . 12.5 tp -62.02 -50.58 71.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -57.24 -39.58 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.287 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.84 -59.14 10.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -30.7 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.51 -50.31 74.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -69.69 -35.43 75.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 mt -56.02 -53.11 60.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -65.91 -46.65 87.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.109 0.481 . . . . 0.0 110.566 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 34.3 mm -62.92 -86.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.611 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.16 18.15 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 4.0 mm-40 -141.43 119.43 7.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.643 0.258 . . . . 0.0 111.022 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.09 -23.87 13.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.589 2.192 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -67.54 -27.3 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -92.08 -12.99 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.488 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.0 mt -44.37 -50.71 21.81 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 51.6 Cg_exo -53.68 -23.53 26.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.232 1.955 . . . . 0.0 112.309 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.72 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -50.3 -33.93 21.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 m-20 -53.78 -47.89 70.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -18.81 61.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.838 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.524 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 42.6 mt -73.74 -42.98 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.46 -52.07 76.98 Favored Pre-proline 0 N--CA 1.468 0.457 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.48 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 68.5 Cg_exo -40.46 -53.53 2.64 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.085 2.524 . . . . 0.0 114.252 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -66.05 -21.44 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.285 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.74 151.18 79.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.4 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 88.4 Cg_exo -48.55 157.39 1.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.86 2.373 . . . . 0.0 112.764 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.023 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -46.22 -33.45 3.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' ND1' ' HG2' ' A' ' 67' ' ' PRO . 28.5 m170 -68.21 -35.91 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -60.66 -47.46 86.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.516 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.33 -54.76 29.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.3 -37.76 86.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -54.01 -41.2 67.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.184 0.516 . . . . 0.0 109.719 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.68 -31.8 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.487 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.41 -31.34 16.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.822 0.344 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.23 80.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -67.86 -45.83 73.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.686 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.7 -30.22 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.428 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 16.2 t80 -65.67 -52.56 50.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.72 -42.14 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -69.5 -47.3 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.547 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -65.56 -33.55 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 0.0 111.182 -179.492 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 61.1 t -65.87 -50.51 69.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -34.15 73.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.74 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -66.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mt -73.76 -70.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 74.63 1.26 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.759 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.76 123.72 41.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -62.99 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -43.34 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -65.71 -39.93 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -67.12 -35.35 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.679 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.41 -35.33 77.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.239 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -52.39 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.586 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.52 -30.2 71.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.623 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -41.43 85.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 110.506 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.551 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.18 -46.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.51 -45.01 89.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -58.37 -38.83 78.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mtp -79.19 -31.75 43.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 28.2 t80 -64.09 -30.1 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.817 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.14 -47.69 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.78 -37.37 62.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.0 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.4 p -78.64 -40.51 34.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.13 30.49 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -103.27 99.72 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.38 -40.02 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.06 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.5 -36.38 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 28.7 tp -67.34 -45.96 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.0 t -60.7 -48.32 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.25 -56.24 26.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.598 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -29.95 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.335 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.95 -37.55 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -72.45 -44.56 62.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.02 -53.12 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.231 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -61.11 -46.25 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.164 0.507 . . . . 0.0 110.44 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.645 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 17.6 mm -68.35 -88.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.421 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 57.54 21.88 7.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 16.2 mm-40 -147.62 124.2 5.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 111.124 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.44 -24.73 9.32 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.727 2.285 . . . . 0.0 112.8 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -61.62 -33.27 73.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.645 ' HD3' ' HA ' ' A' ' 50' ' ' ILE . 13.5 mtt85 -92.37 -8.3 45.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.007 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.6 mt -45.33 -60.15 3.59 Favored Pre-proline 0 CA--C 1.531 0.223 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 9.2 Cg_endo -52.65 -23.59 20.37 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.486 2.124 . . . . 0.0 112.403 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.48 -35.92 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.962 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -52.75 -35.03 55.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.516 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.5 m-20 -53.9 -47.32 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.127 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.04 -20.79 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.019 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.429 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 35.1 mt -74.53 -38.58 46.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -57.88 -55.11 48.45 Favored Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.569 -179.28 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.516 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 45.4 Cg_exo -38.72 -53.6 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.323 2.682 . . . . 0.0 114.009 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -66.73 -34.06 77.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.133 0.492 . . . . 0.0 110.7 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 HG23 ' CB ' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -61.51 144.63 92.19 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.005 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.64 157.56 2.34 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.769 2.313 . . . . 0.0 112.796 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -74.13 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -33.93 23.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' CB ' HG23 ' A' ' 66' ' ' ILE . 17.1 m170 -64.72 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.464 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -59.8 -43.18 94.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.409 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.41 -55.5 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -32.64 74.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.391 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.19 -43.17 74.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.212 0.529 . . . . 0.0 109.781 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.83 -33.93 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.426 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.27 -32.0 72.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.8 -35.55 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.9 75.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.8 -54.79 40.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.695 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.82 -32.81 73.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' CD1' HG21 ' A' ' 13' ' ' VAL . 15.7 t80 -60.1 -52.27 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -60.77 -37.33 81.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.739 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.37 -43.96 84.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.203 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -67.09 -50.74 60.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.434 HG21 ' CD1' ' A' ' 9' ' ' PHE . 23.8 t -52.32 -48.76 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.31 -30.69 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.813 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -68.93 -50.88 45.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -39.82 22.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.518 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 mt -89.99 -74.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 71.89 1.49 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.883 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -97.82 152.71 18.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.53 -37.85 24.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.08 75.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -35.06 79.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.716 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -38.53 76.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.756 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -33.67 75.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -52.14 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -62.28 -32.09 72.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.72 78.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -38.39 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.17 -53.28 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.67 -46.19 91.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.673 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.9 -36.65 70.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.3 mtp -79.85 -32.34 40.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.546 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CE2' HD12 ' A' ' 66' ' ' ILE . 70.9 t80 -62.2 -31.2 71.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -72.14 -45.07 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.62 -42.8 57.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -77.4 -45.04 27.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mmt 61.57 58.6 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -141.3 105.9 4.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.45 -29.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.53 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.31 -36.41 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD11 ' CG ' ' A' ' 33' ' ' TYR . 13.3 tp -58.27 -41.71 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.39 -44.23 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.56 -57.02 21.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.8 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 mt -55.09 -33.98 63.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.55 -50.3 22.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 mt -50.03 -37.59 33.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.283 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -92.13 -45.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.694 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 13.3 mt -90.66 24.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.681 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.0 p30 -62.29 -46.86 86.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -44.03 119.03 3.19 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.96 -52.31 4.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.916 2.411 . . . . 0.0 112.594 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.5 p -64.77 -21.41 66.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.925 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 50' ' ' ILE . 1.3 ttt180 -89.13 -15.72 33.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 34.7 mt -52.03 -46.44 93.02 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.7 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -45.24 -25.65 2.05 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.497 2.131 . . . . 0.0 112.888 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -32.28 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.248 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD2' ' OH ' ' A' ' 74' ' ' TYR . 12.5 m-85 -50.37 -33.76 21.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 t0 -53.64 -49.78 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 9' ' ' PHE . . . -71.65 -17.95 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.3 mm -74.54 -40.09 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 6.6 mtt85 -57.45 -52.67 72.53 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.614 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 63' ' ' ARG . 86.9 Cg_exo -41.48 -52.6 3.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.94 2.427 . . . . 0.0 113.159 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.82 -23.12 67.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.323 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -75.97 143.7 74.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.078 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.1 157.87 2.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.681 2.254 . . . . 0.0 112.486 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -65.87 0.49 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -58.25 -32.67 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -63.63 -30.12 71.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.975 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.77 -50.14 74.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.092 0.472 . . . . 0.0 110.406 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.55 -50.47 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.581 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.97 -32.24 73.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.424 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' OH ' ' CD2' ' A' ' 59' ' ' PHE . 58.3 t80 -58.86 -40.11 83.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.63 -32.3 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.287 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -65.07 -29.74 70.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.5 p . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptt? . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.706 0.288 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -72.74 -177.62 2.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.96 -23.81 12.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.27 -58.15 0.54 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.9 t -56.36 -26.01 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.45 -47.49 69.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.318 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -61.69 -54.74 38.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.676 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.46 -32.84 69.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.503 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' CD1' HG21 ' A' ' 13' ' ' VAL . 15.5 t80 -61.1 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.701 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.52 94.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -65.73 -46.79 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -57.44 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.265 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 9' ' ' PHE . 21.6 t -52.66 -45.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.28 -43.17 99.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.138 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -50.99 45.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -53.66 38.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.32 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.3 mm -71.72 -70.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 73.77 1.37 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.619 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -109.0 149.29 29.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.26 -46.44 16.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.64 82.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.56 -43.98 93.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.691 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -34.39 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.565 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -46.05 90.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.26 -46.69 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 110.584 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.701 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -42.44 71.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.17 -43.4 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.76 -44.4 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.672 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -36.33 70.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.8 mmt -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.717 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -59.23 -30.08 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -68.15 -52.67 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -74.69 -39.85 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.8 p -74.15 -42.78 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.026 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmt 61.05 39.65 16.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -115.09 102.21 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.44 -30.12 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.12 -36.3 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.99 -50.64 72.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.3 t -62.11 -40.03 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.36 -61.4 7.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.581 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -57.45 -46.58 83.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -55.87 -29.8 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 15.8 mttt -74.17 -49.88 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.684 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.66 -36.56 62.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.337 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.3 p -92.29 -47.14 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.57 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.454 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 6.5 mt -90.82 22.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.689 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.1 m-20 -59.12 -39.06 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.361 . . . . 0.0 110.715 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.26 114.48 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.016 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.89 -29.72 2.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.789 2.326 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -67.57 -28.59 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -88.49 -12.49 42.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.515 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.438 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 13.6 mt -49.69 -49.14 74.65 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 76.4 Cg_exo -49.35 -25.89 10.84 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.469 2.113 . . . . 0.0 112.458 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.17 -35.0 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -50.15 -30.26 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 7.2 m-20 -53.62 -51.44 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.369 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.54 -23.35 61.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.739 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 62' ' ' ILE . 34.3 mm -68.5 -36.59 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 111.474 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -57.44 -59.03 14.16 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.385 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.439 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 72.5 Cg_exo -39.64 -50.72 3.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.175 2.584 . . . . 0.0 113.055 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 9' ' ' PHE . 86.1 mt -65.75 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 110.736 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.403 HG22 ' CB ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -74.16 145.53 83.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.401 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 73.8 Cg_exo -51.42 157.4 4.84 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.836 2.358 . . . . 0.0 112.776 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -32.19 6.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.403 ' CB ' HG22 ' A' ' 66' ' ' ILE . 14.1 m170 -64.82 -35.44 81.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.661 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.74 -49.85 76.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.347 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.52 -51.8 60.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.676 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' CE1' HG22 ' A' ' 78' ' ' THR . 2.2 t80 -56.39 -42.64 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 109.642 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.637 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -65.61 -32.63 74.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.85 -49.57 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.431 HG22 ' CE1' ' A' ' 74' ' ' TYR . 68.8 p -66.34 111.39 6.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.985 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.84 -168.16 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.427 2.085 . . . . 0.0 112.384 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.78 0.324 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -138.55 169.31 18.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -92.93 -170.19 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -38.17 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.067 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -74.92 -29.83 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.079 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -65.23 -53.21 47.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.614 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.53 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.611 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 20.2 t80 -62.95 -53.78 48.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -58.64 -42.95 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -53.35 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.301 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -59.02 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.414 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.462 ' CG2' ' CE1' ' A' ' 9' ' ' PHE . 97.8 t -55.69 -48.54 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.51 -42.03 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -68.79 -37.03 79.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.89 -68.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.078 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.44 -65.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.203 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 76.31 1.37 3.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.693 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.63 128.0 45.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.87 -34.25 73.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.75 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.34 -37.36 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.64 -39.92 84.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.4 -31.41 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -46.54 56.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.77 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 27' ' ' TYR . 4.3 pp -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CD2' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -72.32 -37.68 68.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -46.92 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.612 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.42 -38.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.92 -39.61 69.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -46.81 83.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 mtp -74.96 -29.28 60.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.747 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CD2' HD23 ' A' ' 42' ' ' LEU . 45.0 t80 -60.95 -37.28 81.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -47.51 71.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -51.94 12.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.9 p -67.14 -40.67 86.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.243 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.71 67.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 0.0 110.689 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.13 98.04 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.6 t -64.66 -32.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.09 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.8 t -73.5 -36.97 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' A' ' 33' ' ' TYR . 13.2 tp -63.07 -46.54 86.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.011 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 t -57.43 -39.77 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.0 -52.79 45.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.63 -50.97 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.704 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.16 -29.16 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -74.13 -52.51 12.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.259 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -90.17 -46.94 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.434 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.455 HG13 ' CG1' ' A' ' 49' ' ' VAL . 6.6 mt -92.79 23.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LYS . 10.4 p30 -58.2 -40.74 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.5 113.5 3.68 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -41.82 -30.9 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.945 2.43 . . . . 0.0 112.684 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -67.66 -38.32 83.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -76.98 -5.94 50.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.443 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 37.4 mt -51.7 -58.02 12.51 Favored Pre-proline 0 CA--C 1.53 0.202 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 2.1 Cg_endo -45.52 -27.11 3.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.759 2.306 . . . . 0.0 112.526 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tp -56.99 -31.73 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.058 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -51.64 -30.35 21.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -53.73 -48.96 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.111 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.65 -21.69 61.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.453 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.1 mm -71.14 -35.25 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -58.37 18.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.453 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 64.2 Cg_exo -39.68 -48.75 3.47 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.22 2.613 . . . . 0.0 113.026 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mp -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.439 0.638 . . . . 0.0 109.818 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 74' ' ' TYR . 2.5 mt -66.56 138.57 95.65 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.663 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 52.3 Cg_exo -52.66 157.54 7.29 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.623 2.215 . . . . 0.0 112.636 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -74.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.07 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -48.93 -34.49 12.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.026 0.441 . . . . 0.0 110.569 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 12.7 m170 -66.08 -38.06 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -60.49 -44.38 96.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.369 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -59.02 -55.69 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -37.48 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.417 ' CD2' HD13 ' A' ' 66' ' ' ILE . 3.0 t80 -54.03 -40.94 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.67 -32.5 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.412 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -30.11 71.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -90.12 -37.33 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.401 HG21 ' CE1' ' A' ' 74' ' ' TYR . 11.2 p -83.99 158.06 62.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.61 139.46 69.97 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.232 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.812 0.339 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -96.7 128.81 44.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -79.68 177.37 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.22 -49.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.756 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 t -61.86 -26.03 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.087 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -40.36 63.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -61.32 -54.71 40.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.486 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.444 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 15.4 t80 -66.01 -53.09 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.772 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.94 -41.82 75.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -62.62 -51.78 65.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.312 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -64.99 -43.01 93.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.463 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' CG2' ' CE1' ' A' ' 9' ' ' PHE . 85.3 t -53.1 -51.7 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.22 -29.66 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.93 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 pp -82.01 -31.91 30.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.341 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.0 mt -95.56 -80.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 1.44 3.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.754 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -71.72 -17.36 62.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.593 0.235 . . . . 0.0 111.271 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.13 -61.85 0.48 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.38 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.33 73.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.11 -35.61 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -67.26 -35.49 79.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.63 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.74 -33.44 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.287 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -52.52 34.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.13 -34.59 75.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.664 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.68 -35.27 74.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.58 -42.36 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.9 t -64.82 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.29 -46.79 82.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -47.03 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.726 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 mmm -76.19 -29.71 57.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.582 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -72.89 -41.01 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -74.88 -44.0 51.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 p -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.013 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt 61.53 57.32 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.35 96.75 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.05 -31.32 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.79 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.7 t -73.48 -36.63 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 tp -59.59 -46.85 87.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.92 -40.4 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.55 -59.23 11.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.62 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.03 -50.16 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.94 -29.07 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -72.7 -47.54 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.785 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.17 -37.9 72.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.28 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -86.58 -45.27 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.444 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.4 mt -86.97 13.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.699 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.9 p-10 -53.16 -42.33 66.03 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.8 115.21 8.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -42.72 -31.38 2.04 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.938 2.425 . . . . 0.0 112.635 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 -30.38 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -87.28 -8.92 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.492 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 20.6 mt -46.42 -48.27 46.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.0 Cg_exo -48.57 -25.1 7.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 62' ' ' ILE . 20.4 mt -56.68 -42.12 78.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -49.86 -38.55 35.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 111.193 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 m-20 -53.57 -44.94 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -71.91 -26.57 62.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.585 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 58' ' ' LEU . 28.3 mm -66.22 -38.11 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.399 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -57.39 -59.8 11.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.317 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.481 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 81.5 Cg_exo -46.12 -52.9 6.49 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.833 2.355 . . . . 0.0 112.986 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.83 -14.62 61.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.582 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.428 HG23 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -93.61 142.61 25.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.712 0.292 . . . . 0.0 111.192 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.7 Cg_endo -46.46 157.48 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.189 2.593 . . . . 0.0 112.922 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -53.39 -68.68 0.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.81 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -45.32 -44.66 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 111.148 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.526 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 8.7 m170 -69.45 -27.39 65.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.275 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 29.9 mt-30 -62.17 -54.74 36.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.167 0.508 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.47 -46.09 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.529 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -37.25 86.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.45 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 2.8 t80 -56.42 -38.99 72.32 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.58 -32.48 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -29.82 70.4 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mt -92.92 -45.34 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.4 p -76.87 112.03 19.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.47 102.84 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.399 2.066 . . . . 0.0 112.264 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.02 30.92 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -99.88 77.1 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.05 -47.92 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' CG1' ' HG2' ' A' ' 64' ' ' PRO . 11.1 t -70.61 -26.11 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.182 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.51 76.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -47.63 84.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 3.6 mt-10 -62.58 -40.28 96.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.455 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' CE1' HG23 ' A' ' 13' ' ' VAL . 18.5 t80 -60.16 -32.7 71.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.567 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -70.64 -52.09 23.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.352 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.26 -45.31 80.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.229 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -57.98 10.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.103 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 HG23 ' CE1' ' A' ' 9' ' ' PHE . 97.6 t -52.53 -44.68 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.32 -29.3 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.003 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.97 -50.81 45.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.43 -45.08 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.567 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.413 HG23 HD13 ' A' ' 17' ' ' ILE . 18.7 mt -88.19 -73.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 74.39 1.26 3.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.77 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -98.36 143.49 28.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -33.86 29.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -51.21 59.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.74 -34.02 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.63 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 10.5 mtmt -69.62 -35.12 74.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.662 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -72.92 -31.14 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.468 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -70.8 -47.84 57.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.755 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 2.3 pp -65.69 -34.21 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -39.05 82.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.71 -41.55 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.38 -48.67 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.88 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -55.13 -38.54 68.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 mtp -83.8 -30.05 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.716 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CZ ' HD21 ' A' ' 42' ' ' LEU . 27.3 t80 -60.15 -32.04 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.758 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -45.14 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.69 -42.36 58.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.9 p -78.63 -37.77 41.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mtt 62.9 41.07 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -107.49 98.8 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -69.21 -36.88 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.194 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.91 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.244 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.47 -36.3 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD21 ' CZ ' ' A' ' 33' ' ' TYR . 7.5 tp -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.164 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.37 -39.52 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -55.85 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.731 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -61.07 -37.74 83.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -33.91 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -74.01 -51.61 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.035 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mt -56.4 -33.52 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.1 p -89.52 -46.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.399 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.466 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 6.3 mt -92.0 20.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.737 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.9 m-20 -55.09 -41.31 71.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.75 113.94 7.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.698 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -41.43 -28.85 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.051 2.501 . . . . 0.0 112.946 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -67.64 -33.94 75.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -82.21 -12.21 58.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.527 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 27.1 mt -45.67 -57.79 7.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -43.58 -27.99 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.803 2.335 . . . . 0.0 112.862 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -55.21 -32.04 61.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' CE2' ' OH ' ' A' ' 74' ' ' TYR . 8.2 m-85 -49.94 -36.39 27.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 m-20 -53.77 -46.35 70.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.48 62.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.417 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 58' ' ' LEU . 34.3 mm -67.53 -36.14 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.369 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 7.6 mtm180 -57.28 -59.82 11.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.655 0.264 . . . . 0.0 111.047 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.458 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 75.3 Cg_exo -41.25 -50.57 4.36 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.068 2.512 . . . . 0.0 112.777 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 9' ' ' PHE . 31.1 mt -65.99 -35.23 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 0.0 110.26 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.69 125.01 91.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.666 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.9 Cg_endo -48.43 157.46 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.592 2.195 . . . . 0.0 112.419 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.12 -72.25 0.05 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.64 -179.329 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -51.14 6.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 111.43 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 16.4 m170 -65.14 -27.96 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -54.41 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.061 0.458 . . . . 0.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.97 -49.49 81.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.67 -35.07 79.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' OH ' ' CE2' ' A' ' 59' ' ' PHE . 29.6 t80 -56.78 -39.85 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.71 -33.25 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.3 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.74 -34.66 78.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.835 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.08 -40.24 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.5 p -77.61 156.11 80.81 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.817 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.14 89.99 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.578 2.186 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.015 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.0 mtm . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.771 0.32 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -104.58 150.62 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.09 174.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -132.15 -43.51 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 t -55.7 -28.32 23.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.7 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -63.07 -49.23 75.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.74 -31.45 72.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.44 ' CE2' ' CD1' ' A' ' 65' ' ' LEU . 8.3 t80 -60.38 -47.41 86.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -67.84 -41.95 82.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -64.12 -53.28 52.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -45.85 90.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.214 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.77 -51.64 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.786 0.327 . . . . 0.0 110.72 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -62.2 -29.02 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.91 -50.79 46.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.264 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -56.87 4.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.23 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.29 -70.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 75.2 1.35 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.706 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -96.0 137.45 35.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.31 -40.0 45.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.08 78.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.05 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.12 -34.46 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -71.06 -35.76 72.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.76 -35.96 75.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -66.38 -50.55 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.8 -31.48 72.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.728 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -42.81 90.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.2 -37.97 86.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.723 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 t -60.27 -49.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.09 -43.5 98.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 mmt -82.71 -30.6 29.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.696 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -61.15 -34.03 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -71.79 -44.7 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.77 -44.33 50.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -77.11 -39.35 49.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.066 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.96 55.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -121.95 96.89 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 t -66.35 -38.79 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.58 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.79 -36.26 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.64 -51.63 67.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.83 -42.43 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.312 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.13 -61.36 7.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.618 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.51 -49.75 76.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 111.043 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.65 -27.76 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mttp -73.8 -51.46 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -56.99 -32.36 66.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.369 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -90.11 -45.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.324 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 50' ' ' ILE . 29.5 mt -88.46 14.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.525 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.2 p30 -58.58 -38.03 77.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.766 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.2 115.43 9.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -42.72 -30.18 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.839 2.359 . . . . 0.0 112.656 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -67.71 -31.1 70.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -88.85 -0.71 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.518 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.472 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 17.7 mt -55.68 -49.07 94.9 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.533 0.206 . . . . 0.0 111.365 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -52.14 -23.89 18.71 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.371 2.047 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.02 -40.26 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.156 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 50' ' ' ILE . 28.1 m-85 -50.2 -35.68 27.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.247 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.77 -46.25 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.46 62.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.01 -35.78 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.358 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -57.32 -59.64 12.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 66.6 Cg_exo -40.06 -51.65 3.08 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.077 2.518 . . . . 0.0 112.901 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.44 ' CD1' ' CE2' ' A' ' 9' ' ' PHE . 1.9 mt -66.29 -37.36 85.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.07 139.87 95.59 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.527 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.445 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 87.4 Cg_exo -47.28 156.1 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.649 2.233 . . . . 0.0 112.733 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -45.52 72.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.373 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -79.4 -34.59 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.66 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 13.1 m-70 -67.69 -33.45 74.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.346 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 72' ' ' VAL . 8.3 pt20 -67.3 -36.54 81.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.346 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 71' ' ' GLN . 38.1 t -65.4 -51.88 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.526 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -38.12 81.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.372 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -54.26 -40.45 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.0 109.648 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.64 -34.88 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.247 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.74 -32.27 73.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.83 -34.57 39.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.8 p -86.92 107.92 16.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.8 174.5 10.32 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.506 2.138 . . . . 0.0 112.4 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.809 0.338 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -155.49 97.99 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -98.12 37.84 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -95.53 -54.48 3.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.986 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -60.9 -26.14 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.84 83.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 111.211 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.41 -54.69 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.4 -30.33 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.673 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.458 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 9.3 t80 -60.38 -53.86 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -63.71 -40.01 95.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.27 -48.94 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.397 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -47.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.459 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.458 ' CG2' ' CE1' ' A' ' 9' ' ' PHE . 94.4 t -52.66 -49.71 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.722 0.296 . . . . 0.0 111.225 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.92 -32.11 73.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -68.87 -50.77 46.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.45 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.98 -30.21 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.412 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.8 mt -103.1 -74.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 111.331 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 73.92 1.4 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.679 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -98.39 121.1 39.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -33.08 74.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.43 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.71 -35.51 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.806 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -66.94 -35.26 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.602 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.85 -33.33 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.389 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -50.03 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.576 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.85 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -35.02 77.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.61 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.95 -42.19 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.01 -48.34 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.7 -40.68 92.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -56.45 -42.0 77.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.1 ptm -83.07 -28.37 29.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.423 ' CD2' HD22 ' A' ' 42' ' ' LEU . 14.4 t80 -60.14 -34.51 73.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.751 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -48.18 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -74.83 -54.72 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.8 p -62.93 -37.97 89.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt 61.52 34.59 17.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.03 101.86 11.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 t -65.18 -40.63 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.92 77.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.47 -43.45 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 HD22 ' CD2' ' A' ' 33' ' ' TYR . 4.0 tp -60.54 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.402 HG23 ' CE1' ' A' ' 74' ' ' TYR . 26.3 t -66.69 -40.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.68 -61.36 7.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.604 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -59.43 -46.91 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -57.64 -29.41 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.1 ttpt -73.68 -44.31 57.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.71 -36.67 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -87.56 -45.55 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.447 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 26.8 mt -86.54 11.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.712 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.7 m-20 -51.83 -43.35 63.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -49.6 115.72 5.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -43.55 -33.92 4.84 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.806 2.337 . . . . 0.0 112.687 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -67.65 -25.58 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -89.92 0.0 57.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.655 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 78.0 mt -56.98 -45.75 99.93 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.451 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.8 Cg_exo -49.8 -25.22 11.36 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.295 1.996 . . . . 0.0 112.525 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -47.06 83.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -49.95 -37.63 32.9 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.139 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.73 -44.52 69.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -71.89 -27.8 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.435 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 31.7 mm -65.54 -37.31 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.594 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -57.19 -59.76 11.73 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.469 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 85.5 Cg_exo -41.81 -48.72 5.82 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.048 2.498 . . . . 0.0 112.883 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' CE2' ' A' ' 9' ' ' PHE . 36.5 mt -66.13 -33.23 75.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.147 0.499 . . . . 0.0 110.563 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -81.44 141.3 48.97 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.887 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.1 Cg_endo -46.79 157.38 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.02 2.48 . . . . 0.0 112.67 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -50.87 -70.66 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.513 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -42.32 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 25.2 m170 -68.92 -30.93 69.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.176 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 40.0 mt-30 -63.14 -49.08 75.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.24 -49.88 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.14 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -41.79 95.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' CE1' HG23 ' A' ' 43' ' ' VAL . 38.7 t80 -53.83 -39.42 65.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.2 0.524 . . . . 0.0 109.674 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -72.75 -30.99 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.355 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.72 -30.0 70.61 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.39 -38.9 13.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.0 p -91.85 131.52 35.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -74.2 167.22 27.7 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.412 2.075 . . . . 0.0 112.286 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.6 mtm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.93 84.82 2.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.91 110.43 22.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 -57.81 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.0 t -59.83 -26.19 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.24 69.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.229 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -52.04 62.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.586 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -32.96 70.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -62.34 -48.5 79.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.565 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -59.21 -42.0 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -68.59 -45.33 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -55.6 24.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -52.44 -44.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.69 -40.85 93.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.772 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -68.84 -35.92 77.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.937 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mt -81.55 -66.85 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.8 mt -68.77 -60.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.252 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 75.84 1.31 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.673 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -99.98 178.73 4.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.68 -39.26 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -46.84 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.59 -41.39 97.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.5 ttmt -66.68 -31.62 72.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.59 64.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.32 -47.15 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.817 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 2.3 pp -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -38.44 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.592 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.22 -42.48 96.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.98 -42.21 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.34 -45.4 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.732 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -55.88 -39.19 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.5 mtp -82.8 -32.15 27.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CD2' HD21 ' A' ' 42' ' ' LEU . 10.8 t80 -59.66 -30.27 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.57 -48.69 59.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -74.7 -42.9 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.8 p -75.7 -38.74 58.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 64.64 37.51 7.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -105.92 98.98 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.64 -45.66 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.8 68.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -73.46 -36.34 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 33' ' ' TYR . 7.0 tp -68.74 -49.76 56.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.22 -46.14 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.255 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.11 -53.91 36.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -47.07 87.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.2 mt -57.58 -33.78 68.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -42.39 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.1 -53.09 61.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -64.08 -46.06 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.286 0.565 . . . . 0.0 110.474 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.481 HG22 ' HD3' ' A' ' 55' ' ' ARG . 28.9 mt -66.53 -87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.441 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 52.08 41.2 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.718 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 43.2 mt-10 -158.8 125.95 2.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.967 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.66 -26.32 45.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 0.0 112.226 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -67.74 -30.48 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HD3' HG22 ' A' ' 50' ' ' ILE . 8.1 mtp85 -89.37 -14.06 36.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.508 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 11.2 mt -47.36 -49.78 51.87 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.386 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 66.6 Cg_exo -50.81 -25.08 14.66 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.311 2.007 . . . . 0.0 112.233 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -38.92 80.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 34.3 m-85 -50.24 -35.54 27.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 t70 -53.89 -49.48 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.234 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.94 61.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.669 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.6 mt -68.49 -35.22 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.33 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -57.9 -59.31 13.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.339 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 64.7 Cg_exo -39.67 -52.62 2.55 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.262 2.641 . . . . 0.0 113.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -29.88 70.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.784 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.8 138.65 66.08 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.44 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.4 Cg_endo -49.48 157.57 2.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.724 2.283 . . . . 0.0 112.573 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.23 -71.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.532 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -43.03 -47.08 5.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.44 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 23.0 m170 -64.78 -37.29 87.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.01 89.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.473 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.5 t -59.22 -55.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.46 -37.63 84.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.693 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -54.62 -39.93 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.19 0.519 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -32.55 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.443 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.75 -29.82 70.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.75 -40.12 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.324 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.5 p -74.31 155.15 88.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 80' ' ' ARG . 19.5 Cg_endo -58.07 -161.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.874 2.383 . . . . 0.0 112.261 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 79' ' ' PRO . 8.3 mtp85 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -98.0 35.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.08 84.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.39 -58.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.04 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 t -66.45 -26.08 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.88 73.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.002 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -46.35 87.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.487 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -35.55 80.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -60.24 -49.65 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.49 87.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.612 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -37.03 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -54.65 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.7 t -53.16 -47.84 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.208 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -59.18 -37.66 77.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -41.51 78.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mt -82.81 -67.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.1 mt -73.5 -65.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.252 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 76.71 1.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.53 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -95.48 117.26 30.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -59.01 -34.1 71.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.81 -57.51 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -35.82 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.519 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -68.29 -45.09 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.688 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.572 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -51.42 35.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.695 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.33 -31.74 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.801 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -39.02 85.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.582 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.62 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.3 t -60.2 -45.36 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.94 -47.69 82.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -37.95 69.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.793 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 mtp -79.92 -31.59 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.603 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.38 -35.07 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -63.96 -51.17 65.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -74.7 -52.54 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.8 p -62.99 -41.16 99.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.87 39.95 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.57 100.68 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.0 t -67.13 -31.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.3 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.26 -36.47 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.8 tp -64.63 -41.95 95.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 37.9 t -67.5 -50.48 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.18 -46.88 93.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.63 -44.65 96.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.33 -40.98 92.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -43.44 80.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.6 mt -53.93 -53.04 58.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -68.83 -46.09 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.16 0.505 . . . . 0.0 110.491 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 84.2 mt -65.78 -85.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.3 p30 45.54 39.46 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.678 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 37.4 mt-10 -153.23 123.78 3.47 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.116 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.23 -25.58 24.05 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.527 2.151 . . . . 0.0 112.46 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.3 p -67.66 -30.8 70.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' A' ' 50' ' ' ILE . 21.2 mtt-85 -92.14 -7.01 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.511 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.9 mt -45.71 -55.82 11.57 Favored Pre-proline 0 CA--C 1.53 0.188 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.5 Cg_endo -46.36 -24.34 2.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.828 2.352 . . . . 0.0 112.702 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -29.52 70.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.766 0.317 . . . . 0.0 111.04 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CE2' HD13 ' A' ' 50' ' ' ILE . 38.8 m-85 -61.52 -51.42 68.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.719 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.9 p30 -53.56 -38.07 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.153 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 -28.59 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.377 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.411 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 18.6 mt -69.18 -35.94 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.56 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -57.17 -56.65 31.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.614 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 29.6 Cg_exo -36.32 -52.82 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.6 2.866 . . . . 0.0 113.909 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -65.7 -30.33 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -73.74 149.96 88.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.82 156.3 15.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.69 2.26 . . . . 0.0 112.559 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -67.83 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.61 39.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.4 -37.34 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -59.95 -47.48 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.008 0.433 . . . . 0.0 110.598 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -56.8 -52.57 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.84 -33.31 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 78' ' ' THR . 7.8 t80 -54.13 -43.49 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.697 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.75 -36.34 67.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.44 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.75 -30.94 71.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.92 -36.6 18.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.419 HG23 ' CE1' ' A' ' 74' ' ' TYR . 82.8 p -87.38 129.06 52.76 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.57 141.66 28.3 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.449 2.1 . . . . 0.0 112.307 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.94 173.24 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.41 145.06 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -52.18 63.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t -74.59 -26.16 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.18 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.97 82.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -59.93 -54.8 41.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -30.46 71.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.577 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.449 ' CD1' HG22 ' A' ' 13' ' ' VAL . 31.0 t80 -61.41 -53.8 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.79 93.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -62.24 -53.26 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 8.3 ptmt -65.1 -43.07 93.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.199 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 9' ' ' PHE . 60.8 t -52.49 -45.56 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -71.89 -30.51 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.729 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.82 -50.99 45.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.457 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.76 -35.21 44.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.448 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.1 mt -96.61 -65.99 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.78 1.26 3.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.7 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -96.48 116.62 29.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.31 -34.36 70.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.31 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.9 -36.93 81.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -71.85 -35.6 69.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -34.56 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 78.0 t80 -69.08 -49.35 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.674 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pp -65.24 -33.27 75.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.598 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.88 -37.32 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.86 -39.47 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.21 -46.88 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.47 -44.68 77.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -56.15 -39.83 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -86.76 -28.6 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' HD22 ' A' ' 42' ' ' LEU . 11.9 t80 -58.66 -35.23 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -74.68 -55.0 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.31 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.8 t -73.02 -31.73 64.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.238 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.35 36.76 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.93 96.97 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 t -63.69 -36.13 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.58 -37.45 78.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 33' ' ' TYR . 26.1 tp -58.32 -47.0 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.5 -39.42 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.77 -61.35 7.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.634 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 4.1 m-20 -57.5 -53.79 54.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.994 0.425 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.2 mt -50.76 -28.24 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.727 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 12.7 ttmt -74.12 -44.34 54.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.27 -32.22 66.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.566 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.48 -30.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 59' ' ' PHE . 16.2 mt -108.37 25.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -75.44 -6.66 51.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 111.205 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -97.45 116.71 65.91 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.477 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -37.73 -29.7 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.41 2.74 . . . . 0.0 113.318 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -92.16 3.02 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.921 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.44 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 10.7 mt -53.9 -49.73 87.85 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.562 0.22 . . . . 0.0 111.238 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 71.4 Cg_exo -48.89 -25.59 8.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.151 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.6 tp -55.62 -42.22 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.195 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 50' ' ' ILE . 32.0 m-85 -50.15 -33.79 20.13 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -53.69 -49.67 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.89 -27.46 62.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.778 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 62' ' ' ILE . 59.9 mt -67.75 -30.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.438 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 3.4 mtp180 -63.01 -59.38 12.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.205 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.492 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 72.6 Cg_exo -41.84 -52.59 3.85 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.076 2.517 . . . . 0.0 113.108 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.5 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.336 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.9 141.81 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.82 157.2 13.28 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 112.215 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -66.67 0.35 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -46.81 29.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.471 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 8.3 m170 -65.23 -29.89 70.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.948 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -54.13 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.143 0.497 . . . . 0.0 110.626 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -57.66 -48.51 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -39.82 94.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -54.05 -39.86 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -72.58 -32.1 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -65.76 -30.32 70.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.0 mt -88.85 -45.61 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.052 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.7 p -64.38 112.24 7.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.61 128.68 16.52 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.476 2.117 . . . . 0.0 112.226 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.349 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mmt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.811 0.339 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -149.23 93.26 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 60.05 170.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -106.75 -53.72 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.6 t -74.71 -27.55 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.403 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.65 83.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.0 ttt-85 -62.45 -47.5 83.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.247 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.94 -30.37 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.379 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.451 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 31.1 t80 -62.89 -50.14 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.45 -45.52 93.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -63.63 -53.22 54.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.256 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -55.34 -43.49 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.811 0.338 . . . . 0.0 110.799 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.58 -34.06 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.97 -50.88 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.263 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.88 -52.19 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.9 mm -71.13 -70.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.94 1.38 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.778 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -111.79 165.54 11.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.813 0.339 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.56 -41.54 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.93 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.032 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.84 -45.02 93.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -59.15 -38.67 80.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.501 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -44.83 86.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.702 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -45.5 85.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.06 -35.02 77.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -45.82 83.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.2 t -61.23 -47.64 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.01 -49.31 75.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.89 -41.28 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.5 mtp -77.59 -31.44 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.59 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CE2' HD23 ' A' ' 42' ' ' LEU . 22.2 t80 -62.34 -31.57 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -70.77 -47.04 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -74.54 -37.74 62.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.039 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -78.77 -42.42 28.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.31 45.25 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -128.65 104.27 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.35 -30.38 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.36 96.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -73.54 -36.3 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 33' ' ' TYR . 12.2 tp -63.83 -52.27 60.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.69 -39.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.26 -61.29 7.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -59.45 -51.73 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.3 mt -54.94 -28.55 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.8 mtmt -73.99 -52.45 12.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.796 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt -53.94 -33.24 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.293 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.08 -45.37 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.415 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 HG13 ' CG1' ' A' ' 49' ' ' VAL . 12.6 mt -91.34 20.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.8 m-20 -61.36 -38.4 86.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.931 0.396 . . . . 0.0 110.679 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -52.11 115.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -42.88 -30.64 1.88 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.852 2.368 . . . . 0.0 112.714 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -67.69 -30.32 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -89.74 -0.44 57.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.515 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 18.8 mt -55.98 -47.75 98.14 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.25 -23.88 19.25 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 0.0 112.536 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.63 -45.34 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.323 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' CE2' HG23 ' A' ' 50' ' ' ILE . 51.7 m-85 -50.2 -30.23 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.529 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 t0 -53.84 -56.82 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.329 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' CB ' ' HE2' ' A' ' 12' ' ' LYS . . . -71.67 -18.67 62.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.926 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.8 mt -74.49 -30.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.549 0.214 . . . . 0.0 111.555 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 2.6 mtt180 -65.36 -54.33 32.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.303 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' A' ' 63' ' ' ARG . 84.8 Cg_exo -42.05 -52.45 4.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.946 2.431 . . . . 0.0 113.391 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.52 -22.34 66.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.399 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.2 149.12 61.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.25 157.43 3.08 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.676 2.251 . . . . 0.0 112.666 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -72.48 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.001 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -32.35 25.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -65.68 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -60.02 -51.61 68.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.006 0.431 . . . . 0.0 110.671 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.25 -50.58 76.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.032 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.14 -38.94 93.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -54.05 -40.38 67.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -31.7 65.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -65.7 -30.46 71.15 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -90.6 -40.28 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.126 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.4 p -76.7 161.43 74.14 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.91 132.4 26.78 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.606 2.204 . . . . 0.0 112.392 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.872 0.367 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 t0 60.46 31.42 20.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.6 mtt85 -102.03 40.98 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -32.18 45.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.3 t -74.69 -26.18 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -67.92 -54.32 19.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.745 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.41 -33.28 69.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.665 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 15.3 t80 -64.12 -52.59 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.662 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -61.42 -53.36 57.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 1.1 ptmt -61.2 -41.54 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.964 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 89.2 t -52.5 -51.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.738 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -32.94 74.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.229 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -40.43 79.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.799 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.8 mt -71.38 -66.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 75.97 1.15 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.677 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -96.92 130.26 44.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -68.49 -33.1 73.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.34 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.08 -39.54 94.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.21 -31.2 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.742 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.97 -32.3 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -49.09 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.736 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.61 -33.57 76.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -36.74 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.631 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -68.87 -37.72 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.23 -45.97 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.04 -45.55 88.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -39.26 75.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.28 -30.44 30.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.703 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 39.1 t80 -61.46 -32.17 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.1 -44.05 63.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.75 -41.66 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 p -78.71 -41.2 31.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.015 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm 64.02 40.2 7.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.52 106.16 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.39 -33.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.9 89.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -73.44 -37.96 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 11.1 tp -62.85 -52.25 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.2 t -62.49 -39.37 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.38 -61.16 7.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.647 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.36 -47.38 86.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.991 0.424 . . . . 0.0 110.822 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ASN . 17.7 ttmt -74.01 -45.49 49.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.76 -37.13 70.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.32 -45.01 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.306 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 23.5 mt -87.6 15.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.646 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.3 p30 -55.67 -41.56 73.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.903 0.382 . . . . 0.0 110.949 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -49.84 114.84 4.56 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -41.44 -30.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.949 2.433 . . . . 0.0 112.763 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -38.17 83.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' CB ' HG21 ' A' ' 50' ' ' ILE . 70.2 mtt180 -78.9 -3.75 46.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.599 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.505 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 28.5 mt -53.19 -58.86 10.76 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.2 Cg_endo -48.64 -24.75 7.04 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.712 2.275 . . . . 0.0 112.575 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.26 -38.47 71.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 50' ' ' ILE . 24.4 m-85 -51.25 -30.71 18.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 14.3 m-20 -53.83 -49.25 68.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.185 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 9' ' ' PHE . . . -72.35 -18.98 61.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.039 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.511 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.5 mt -74.38 -43.16 49.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.47 -51.82 78.86 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.053 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 56.2 Cg_exo -38.53 -53.7 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.138 2.559 . . . . 0.0 114.204 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.34 -28.7 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.171 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.406 HD13 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -69.86 151.33 96.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.79 157.35 2.62 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.802 2.335 . . . . 0.0 112.617 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.069 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -30.69 9.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -67.13 -36.18 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.624 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.98 -51.98 67.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.092 0.472 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.23 -48.55 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.87 -38.54 89.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.754 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -53.94 -40.83 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.22 0.533 . . . . 0.0 109.749 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -72.71 -33.64 66.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.515 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.77 -27.89 68.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.58 -40.5 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.8 p -72.83 121.8 85.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.96 145.84 32.09 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.485 2.123 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.826 0.346 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -98.66 31.81 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.87 76.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.37 -45.46 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t -74.75 -26.19 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.925 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.07 -39.63 72.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.43 -54.68 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.424 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -34.28 76.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.298 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' CD1' HG22 ' A' ' 13' ' ' VAL . 26.3 t80 -60.1 -52.31 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -57.43 -42.01 81.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -69.11 -36.79 77.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.683 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.53 -58.82 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 HG22 ' CD1' ' A' ' 9' ' ' PHE . 36.1 t -52.57 -43.24 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.05 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -41.81 77.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.928 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -65.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.3 mt -77.54 -68.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.227 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.54 1.32 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -94.14 162.49 13.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -93.43 -38.13 11.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.85 64.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -58.19 -44.4 88.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.679 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -58.32 -40.1 81.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.07 -37.1 86.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.484 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.417 ' CG ' HG22 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -62.31 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -47.67 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.388 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.6 -35.38 70.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.3 -40.3 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.783 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.94 -43.42 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -60.0 -37.17 78.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 mmt -85.02 -30.88 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CG ' HD12 ' A' ' 42' ' ' LEU . 24.6 t80 -61.96 -33.76 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.0 -43.8 56.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -39.65 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.2 p -78.81 -41.14 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.24 61.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.05 107.58 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -58.84 -34.73 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.06 81.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.7 t -73.45 -36.39 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 HD12 ' CG ' ' A' ' 33' ' ' TYR . 19.3 tp -58.98 -52.2 66.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.092 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.76 -39.62 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.83 -59.07 11.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.554 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.2 -49.53 77.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 111.059 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.54 -32.56 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -73.5 -42.07 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.69 -53.12 61.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.5 p -62.01 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.629 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.476 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 72.8 mt -62.03 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.667 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 51.93 26.36 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.948 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' CD ' ' A' ' 55' ' ' ARG . 7.9 mm-40 -145.88 121.04 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.896 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -50.99 -25.23 15.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.357 2.038 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -27.72 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 50' ' ' ILE . 18.8 mtt-85 -92.16 -7.28 48.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.616 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.4 mt -49.54 -50.42 66.13 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-O 120.583 0.23 . . . . 0.0 111.33 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 73.2 Cg_exo -50.49 -24.42 12.35 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.409 2.073 . . . . 0.0 112.518 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.99 -43.15 73.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.144 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' CZ ' ' CD1' ' A' ' 50' ' ' ILE . 20.1 m-85 -50.13 -30.48 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.114 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.7 t70 -53.83 -52.77 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.81 -22.72 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.766 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.408 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 65.2 mt -71.51 -30.34 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 111.552 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -64.98 -56.65 19.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.568 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 63.4 Cg_exo -39.99 -53.02 2.6 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.18 2.587 . . . . 0.0 113.532 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.09 -31.22 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 179.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.96 135.82 66.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.728 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.457 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 6.5 Cg_endo -49.59 157.49 2.31 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.783 2.322 . . . . 0.0 112.639 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.37 -70.44 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.546 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.94 -49.68 5.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.965 0.412 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.9 m170 -67.47 -30.1 69.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.716 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -54.03 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 110.247 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.5 -47.9 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -65.5 -36.93 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.604 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -54.37 -42.54 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -31.66 65.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.12 71.96 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 mt -89.94 -45.25 9.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.7 p -63.83 126.21 89.4 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.76 157.04 10.78 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.369 2.046 . . . . 0.0 112.235 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.2 -64.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.794 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.21 -172.68 4.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.29 -58.02 0.58 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.205 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t -53.66 -26.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.36 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.56 84.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -65.21 -54.49 28.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -33.54 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -60.49 -50.31 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.504 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.21 -45.31 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -66.23 -40.21 90.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -58.55 8.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -52.44 -46.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.171 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.39 -40.67 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.677 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -44.72 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.58 -67.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.7 mt -77.86 -67.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.194 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 76.05 1.06 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.69 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.99 114.4 26.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.33 -36.14 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.12 -56.13 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.92 -35.09 74.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 3.7 mtmp? -66.93 -34.81 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.69 64.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.342 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.88 -49.06 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.569 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' LYS . 3.2 pp -64.64 -33.87 76.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.53 -34.05 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.587 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.58 -45.43 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -64.69 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.42 -46.03 91.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -57.71 -45.69 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -31.85 66.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.577 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.425 ' CD2' HD13 ' A' ' 42' ' ' LEU . 13.8 t80 -61.4 -34.61 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -48.45 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -74.88 -44.34 49.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.0 p -72.53 -33.87 67.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt 60.76 51.32 4.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.66 96.27 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.42 -44.89 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.01 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.2 t -73.48 -37.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD13 ' CD2' ' A' ' 33' ' ' TYR . 6.5 tp -64.57 -45.04 88.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.16 -44.93 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.88 -61.63 7.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.75 -50.47 68.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.82 0.343 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.89 -27.5 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.96 -52.79 11.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.794 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.02 -34.43 59.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.77 -45.24 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.246 -179.677 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.44 HG13 ' CG1' ' A' ' 49' ' ' VAL . 17.5 mt -90.89 20.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.541 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.8 p30 -57.56 -39.91 77.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -50.03 113.44 3.44 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.44 -30.77 2.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.794 2.329 . . . . 0.0 112.712 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -67.68 -30.78 70.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' CB ' HG23 ' A' ' 50' ' ' ILE . 78.7 mtt180 -84.62 -14.09 49.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.468 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 26.2 mt -46.68 -58.58 6.57 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.4 Cg_endo -44.42 -27.54 2.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.8 2.334 . . . . 0.0 112.703 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.65 -41.02 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 50' ' ' ILE . 25.3 m-85 -50.22 -30.09 10.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 74.0 m-20 -53.54 -51.72 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.69 -18.35 62.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.695 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.41 -34.67 36.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.66 0.267 . . . . 0.0 111.556 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 2.3 ttp180 -60.39 -56.74 32.33 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.229 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.483 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 92.1 Cg_exo -45.7 -52.71 6.49 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.862 2.375 . . . . 0.0 112.791 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.87 -15.57 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.387 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.408 HG23 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -82.26 158.68 66.33 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.683 0.278 . . . . 0.0 111.2 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 51.0 Cg_exo -55.48 157.51 14.87 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.772 2.314 . . . . 0.0 112.531 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -51.76 -68.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.04 -36.16 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.8 m170 -63.68 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.064 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -60.24 -56.18 24.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.163 0.506 . . . . 0.0 110.568 179.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.08 -46.46 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.59 -41.1 96.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -53.96 -39.58 66.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.174 0.511 . . . . 0.0 109.642 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.79 -31.64 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.44 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -65.63 -32.76 74.51 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.83 -38.58 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p -105.54 104.74 49.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.35 165.69 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.449 2.1 . . . . 0.0 112.272 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.869 0.366 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -45.17 3.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.9 134.17 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -132.91 -49.28 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 t -67.41 -26.1 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.047 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.32 -46.1 83.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.331 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -54.79 41.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.72 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.78 -30.4 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.402 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.451 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 11.2 t80 -63.97 -54.03 40.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -57.12 -45.05 83.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -57.82 -52.98 63.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 4.2 ptpt -62.54 -31.51 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 88.6 t -60.75 -51.56 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.672 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.96 -33.82 74.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.47 -71.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -56.69 -58.36 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 77.3 -4.22 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -111.94 169.06 9.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.766 0.317 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -102.68 -41.9 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.55 86.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.31 -50.86 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -32.49 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -31.56 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -41.27 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.77 -45.99 73.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.482 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -63.74 -34.29 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.09 -45.15 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.3 -43.04 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.52 -46.08 91.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -56.51 -40.8 75.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.64 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.57 -30.86 47.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.536 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CE2' HD22 ' A' ' 42' ' ' LEU . 16.3 t80 -61.54 -31.73 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.615 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.25 -44.12 69.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -40.84 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.7 p -78.69 -37.01 42.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 mmt 61.64 30.94 18.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 97.56 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.14 -38.96 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.43 81.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.25 -36.4 49.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 33' ' ' TYR . 50.3 tp -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.63 -39.93 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.187 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.53 -57.09 20.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -59.99 -45.54 92.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.26 -29.52 65.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.3 tptt -74.05 -52.75 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 0.0 110.987 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.94 -33.98 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.418 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.6 p -92.1 -47.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 0.0 111.544 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.478 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 7.9 mt -90.54 21.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.652 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 m-20 -58.64 -41.3 85.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.31 115.5 7.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -43.2 -30.09 2.03 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.925 2.417 . . . . 0.0 112.73 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 m -67.73 -29.95 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -88.88 -8.52 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.586 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 12.8 mt -53.19 -49.94 85.06 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-O 120.475 0.178 . . . . 0.0 111.421 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 68.6 Cg_exo -50.8 -24.87 14.2 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.461 2.107 . . . . 0.0 112.359 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -57.66 -31.86 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -50.02 -35.71 25.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.957 0.408 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -53.77 -48.86 69.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.451 ' CB ' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -18.42 62.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.771 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 58' ' ' LEU . 35.7 mm -74.47 -38.35 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.475 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.596 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -57.32 -53.64 63.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.29 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' A' ' 63' ' ' ARG . 82.7 Cg_exo -40.77 -51.41 3.63 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.883 2.389 . . . . 0.0 112.814 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.92 -36.89 84.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.173 0.511 . . . . 0.0 110.211 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.23 121.54 78.94 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.761 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.46 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.0 Cg_endo -48.59 157.75 1.35 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -49.82 -68.47 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.414 -179.321 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -44.93 -45.66 10.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 111.218 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.46 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 21.5 m170 -66.46 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.534 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.55 85.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.82 -52.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.647 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -38.1 89.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' CD1' HG21 ' A' ' 78' ' ' THR . 27.4 t80 -54.75 -39.21 68.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.6 -33.38 66.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.378 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.63 -29.3 69.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mt -88.54 -42.22 12.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 74' ' ' TYR . 34.8 p -71.7 112.9 15.79 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.807 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.54 129.13 32.3 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.369 2.046 . . . . 0.0 112.27 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.865 0.364 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -141.06 114.01 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -60.26 145.83 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -136.52 -49.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.07 -26.09 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.17 92.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -63.79 -54.67 31.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.96 -30.72 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' CD2' ' HB3' ' A' ' 61' ' ' ALA . 11.7 t80 -62.0 -53.98 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.68 -38.11 86.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -63.77 -48.37 77.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.343 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -69.4 -34.38 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.575 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 97.7 t -61.07 -50.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -36.73 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -68.77 -44.52 73.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -84.87 -22.14 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.601 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.4 mt -111.37 -81.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 0.0 111.3 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 72.57 1.42 3.98 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.716 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -71.73 -19.78 61.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.669 0.271 . . . . 0.0 111.28 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.31 -61.91 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 111.065 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.25 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 4.6 mtmp? -63.6 -43.42 96.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -36.34 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 110.015 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.56 -57.08 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.314 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 23' ' ' LYS . 3.0 pp -59.56 -28.9 67.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.415 ' N ' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -69.19 -37.32 78.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -43.17 76.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.751 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.74 -43.21 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.37 -51.67 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -37.51 75.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mtp -80.16 -30.71 38.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.638 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CG ' HD13 ' A' ' 42' ' ' LEU . 29.7 t80 -62.27 -35.79 80.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -73.17 -39.44 65.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -74.81 -46.34 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -78.78 -39.77 35.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 mtp 65.68 46.31 2.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -118.09 102.48 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.72 -39.55 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.29 91.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.8 t -71.52 -36.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.415 HD13 ' CG ' ' A' ' 33' ' ' TYR . 8.3 tp -62.14 -50.83 70.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.1 t -56.62 -44.25 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.91 -56.06 26.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.788 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -58.3 -55.54 33.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.099 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -26.8 16.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' ASN . 16.1 tttm -73.83 -50.38 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mt -57.35 -33.19 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -89.04 -45.35 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.353 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.439 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.6 mt -88.39 14.3 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.506 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.5 p-10 -55.49 -39.06 69.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 114.07 7.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -42.11 -30.55 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.948 2.432 . . . . 0.0 112.755 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -30.99 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -88.67 -3.0 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.654 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 16.0 mt -53.39 -49.13 89.96 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 120.456 0.169 . . . . 0.0 111.341 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 52.9 Cg_exo -54.76 -24.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.344 2.029 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.3 tp -58.26 -34.56 70.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -50.04 -37.94 35.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 21.2 t70 -53.76 -45.18 70.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB3' ' CD2' ' A' ' 9' ' ' PHE . . . -71.7 -26.56 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.415 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.4 mm -67.13 -34.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.225 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -57.24 -59.47 12.67 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.443 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 65.1 Cg_exo -38.36 -48.41 2.43 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.305 2.67 . . . . 0.0 112.935 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD12 ' CD2' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -66.21 -41.54 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.187 0.517 . . . . 0.0 110.119 179.672 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.408 HG23 ' CB ' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -62.68 141.36 97.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.601 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.09 157.48 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.617 2.211 . . . . 0.0 112.729 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -72.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.62 54.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' CB ' HG23 ' A' ' 66' ' ' ILE . 16.8 m170 -62.7 -36.63 83.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' CG ' HG21 ' A' ' 66' ' ' ILE . 38.3 mt-30 -60.18 -45.27 93.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.059 0.457 . . . . 0.0 110.423 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.4 t -58.93 -53.27 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.685 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -63.18 -37.99 89.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.06 -39.66 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.117 0.484 . . . . 0.0 109.744 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.69 -34.24 67.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.283 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.61 -29.87 70.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -88.36 -28.45 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p -103.27 104.08 38.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.86 168.02 3.7 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.401 2.067 . . . . 0.0 112.348 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.818 0.342 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.23 168.54 9.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.15 134.32 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.27 -57.98 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.6 t -72.72 -26.13 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.38 80.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.203 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -50.56 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.23 -35.82 76.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -46.5 88.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -65.61 -41.81 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.654 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.23 -58.91 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.1 t -53.04 -41.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.412 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.78 -40.04 72.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.87 -38.07 79.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.06 -56.7 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.5 mm -68.31 -67.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 75.92 1.36 3.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.551 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -111.94 171.47 7.48 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.39 -36.87 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.03 16.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -59.56 -39.27 83.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -30.65 70.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.87 -31.95 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.356 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -49.4 54.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.586 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -66.31 -34.84 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.796 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.0 -37.15 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -70.27 -36.54 74.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 t -62.72 -49.3 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.47 -43.95 97.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -36.19 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.8 mmt -79.32 -35.78 40.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.781 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -58.85 -36.29 74.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -61.51 -53.6 54.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -74.76 -54.48 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.2 p -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.072 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.94 60.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -137.56 108.64 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.42 -39.28 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.88 83.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.46 -36.39 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.9 tp -66.98 -52.09 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -65.84 -46.36 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.35 -52.13 53.48 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.645 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -63.4 -48.12 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 111.001 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mt -56.95 -34.38 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -42.46 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.47 -53.09 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.983 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -65.75 -45.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.215 0.531 . . . . 0.0 110.566 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 55' ' ' ARG . 81.2 mt -68.05 -86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.679 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 52.51 33.93 14.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.62 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 1.3 mt-10 -148.27 121.6 4.7 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.967 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -51.77 -25.07 19.78 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.501 2.134 . . . . 0.0 112.307 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.4 p -67.77 -29.13 68.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -92.05 -17.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.322 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.433 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.6 mt -43.08 -50.39 14.23 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.501 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 68.1 Cg_exo -50.78 -25.15 14.72 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.436 2.09 . . . . 0.0 112.312 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.0 tt -56.28 -43.79 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 t70 -53.34 -51.7 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -21.13 61.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.5 mt -72.12 -30.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.437 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -56.95 18.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.545 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 67.9 Cg_exo -40.64 -53.19 2.87 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.188 2.592 . . . . 0.0 113.399 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.361 0.601 . . . . 0.0 110.045 179.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.3 mt -66.76 140.28 96.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.85 155.05 0.6 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.731 2.287 . . . . 0.0 112.759 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -74.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -46.89 -36.94 8.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.222 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -64.9 -38.51 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.87 -45.65 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.05 0.452 . . . . 0.0 110.643 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.93 -53.2 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.016 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -38.6 91.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -53.89 -40.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.15 0.5 . . . . 0.0 109.753 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.79 -32.78 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.536 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -31.54 72.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.04 -33.9 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p -91.0 116.48 66.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.16 128.88 28.82 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.436 2.091 . . . . 0.0 112.268 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.822 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -167.12 134.43 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.56 -43.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -55.44 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 t -72.48 -26.4 24.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.02 -47.58 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.34 33.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.404 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.14 -32.26 69.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.403 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' CE1' HG22 ' A' ' 13' ' ' VAL . 14.1 t80 -60.21 -53.05 62.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -57.33 -43.25 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -66.97 -41.96 85.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -58.87 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 9' ' ' PHE . 26.7 t -52.69 -43.74 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.04 -41.54 99.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -50.77 47.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -66.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.14 -70.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 73.93 1.26 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.727 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -97.99 124.09 42.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.832 0.348 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -60.23 -39.45 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.78 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.012 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.88 -38.5 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -65.26 -33.98 77.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.8 -31.67 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.93 -48.14 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 pp -65.81 -37.01 85.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -34.37 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.2 -40.4 78.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.89 -49.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.747 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.82 -37.79 83.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -64.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -31.27 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.598 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CE2' HD12 ' A' ' 66' ' ' ILE . 21.1 t80 -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.682 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -39.57 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -74.8 -45.76 41.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.2 p -78.64 -37.59 41.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.1 mmt 62.06 54.57 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -128.06 99.44 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.9 -30.71 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.64 93.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.5 t -73.51 -36.39 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.103 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -55.79 -44.68 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.088 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.447 ' N ' ' CG1' ' A' ' 43' ' ' VAL . . . -58.01 -59.01 11.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.579 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -42.49 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.26 -33.09 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -73.98 -50.55 19.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.721 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.6 mt -49.97 -38.39 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.408 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.1 p -91.43 -46.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.474 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.459 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 8.6 mt -89.95 24.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.598 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LYS . 16.5 p30 -57.01 -43.09 81.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.811 0.339 . . . . 0.0 111.037 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.9 116.59 2.42 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.446 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -44.23 -50.31 7.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.906 2.404 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -19.79 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.052 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -19.79 29.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.265 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 14.9 mt -51.26 -48.97 84.35 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.566 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.452 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 83.4 Cg_exo -45.17 -28.5 3.52 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.547 2.164 . . . . 0.0 112.653 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -29.9 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -50.16 -31.94 14.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 5.1 t70 -53.74 -47.62 70.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.55 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 31.3 mm -73.09 -43.25 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.66 -52.77 71.04 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.4 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 75.1 Cg_exo -39.46 -52.2 2.54 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.972 2.448 . . . . 0.0 113.017 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.64 -30.67 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.92 152.48 95.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.444 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 50.6 Cg_exo -53.35 157.68 8.64 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -72.17 0.05 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -30.21 49.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.444 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 10.2 m170 -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.88 -50.53 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.046 0.451 . . . . 0.0 110.569 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 t -58.95 -48.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.88 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -67.14 -37.19 83.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -53.93 -43.69 70.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.173 0.511 . . . . 0.0 109.767 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.75 -31.17 64.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.484 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -65.58 -32.75 74.5 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.01 -35.51 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p -91.17 126.12 56.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.05 156.45 59.89 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.532 2.155 . . . . 0.0 112.272 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.883 0.373 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -177.86 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.806 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.8 172.56 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.84 -58.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.233 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.431 ' CG1' ' CB ' ' A' ' 64' ' ' PRO . 2.7 t -74.8 -26.04 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.693 0.283 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.84 70.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -54.81 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.427 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -59.3 -33.09 70.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.461 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.19 -53.81 53.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -39.49 73.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -35.39 70.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -58.71 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.9 t -54.43 -46.22 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -57.92 -44.34 86.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.92 -36.5 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.7 mt -78.93 -73.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.8 mt -73.27 -66.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.206 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 76.41 1.36 3.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.578 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -92.05 118.63 30.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.836 0.35 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -59.38 -35.18 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.96 76.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -34.14 77.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.804 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -69.82 -33.7 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -72.78 -33.69 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -50.08 47.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.548 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.52 -31.99 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.799 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -69.92 -37.68 75.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.591 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -42.59 89.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.2 t -62.89 -44.11 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.64 -45.42 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -55.48 -38.39 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mtp -81.24 -28.36 34.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CG ' HD13 ' A' ' 42' ' ' LEU . 66.5 t80 -66.75 -27.0 67.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -52.46 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.403 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -36.06 62.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.59 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.3 p -78.54 -44.53 24.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.351 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt 64.39 43.07 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -111.13 98.1 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -62.25 -40.58 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.85 75.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.005 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.48 -36.39 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 33' ' ' TYR . 12.5 tp -62.02 -50.58 71.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -57.24 -39.58 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.287 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.84 -59.14 10.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -30.7 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.51 -50.31 74.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -69.69 -35.43 75.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.0 mt -56.02 -53.11 60.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -65.91 -46.65 87.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.109 0.481 . . . . 0.0 110.566 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 34.3 mm -62.92 -86.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.611 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.16 18.15 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 4.0 mm-40 -141.43 119.43 7.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.643 0.258 . . . . 0.0 111.022 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.09 -23.87 13.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.589 2.192 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -67.54 -27.3 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -92.08 -12.99 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.488 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.0 mt -44.37 -50.71 21.81 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 51.6 Cg_exo -53.68 -23.53 26.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.232 1.955 . . . . 0.0 112.309 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.72 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -50.3 -33.93 21.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 m-20 -53.78 -47.89 70.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -18.81 61.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.838 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.524 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 42.6 mt -73.74 -42.98 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.46 -52.07 76.98 Favored Pre-proline 0 N--CA 1.468 0.457 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.48 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 68.5 Cg_exo -40.46 -53.53 2.64 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.085 2.524 . . . . 0.0 114.252 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -66.05 -21.44 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.285 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.74 151.18 79.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 88.4 Cg_exo -48.55 157.39 1.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.86 2.373 . . . . 0.0 112.764 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.023 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -46.22 -33.45 3.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' ND1' ' HG2' ' A' ' 67' ' ' PRO . 28.5 m170 -68.21 -35.91 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -60.66 -47.46 86.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.516 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.33 -54.76 29.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.3 -37.76 86.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -54.01 -41.2 67.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.184 0.516 . . . . 0.0 109.719 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.68 -31.8 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.487 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.41 -31.34 16.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p -104.35 92.88 5.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.28 -168.01 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.63 2.22 . . . . 0.0 112.265 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.817 0.341 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -106.92 147.17 30.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -62.21 -76.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.39 -58.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.864 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 t -74.84 -27.37 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.23 80.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -67.86 -45.83 73.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.686 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.7 -30.22 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 16.2 t80 -65.67 -52.56 50.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.72 -42.14 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -69.5 -47.3 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.547 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -65.56 -33.55 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 0.0 111.182 -179.492 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 61.1 t -65.87 -50.51 69.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -34.15 73.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.74 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -66.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.7 mt -73.76 -70.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 74.63 1.26 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.759 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.76 123.72 41.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -62.99 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -43.34 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -65.71 -39.93 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -67.12 -35.35 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.679 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.41 -35.33 77.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.239 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -52.39 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.586 179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.52 -30.2 71.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.623 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -41.43 85.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 110.506 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.551 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.18 -46.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.51 -45.01 89.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -58.37 -38.83 78.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mtp -79.19 -31.75 43.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CD1' ' HB2' ' A' ' 42' ' ' LEU . 28.2 t80 -64.09 -30.1 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.817 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.14 -47.69 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.78 -37.37 62.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.0 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.4 p -78.64 -40.51 34.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.13 30.49 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -103.27 99.72 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 t -59.38 -40.02 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.06 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -73.5 -36.38 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 28.7 tp -67.34 -45.96 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.0 t -60.7 -48.32 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.25 -56.24 26.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.598 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -29.95 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.335 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.95 -37.55 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -72.45 -44.56 62.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.02 -53.12 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.231 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -61.11 -46.25 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.164 0.507 . . . . 0.0 110.44 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.645 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 17.6 mm -68.35 -88.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.421 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 57.54 21.88 7.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 16.2 mm-40 -147.62 124.2 5.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 111.124 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.44 -24.73 9.32 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.727 2.285 . . . . 0.0 112.8 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -61.62 -33.27 73.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.645 ' HD3' ' HA ' ' A' ' 50' ' ' ILE . 13.5 mtt85 -92.37 -8.3 45.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.007 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.6 mt -45.33 -60.15 3.59 Favored Pre-proline 0 CA--C 1.531 0.223 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 9.2 Cg_endo -52.65 -23.59 20.37 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.486 2.124 . . . . 0.0 112.403 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.48 -35.92 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.962 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -52.75 -35.03 55.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.516 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.5 m-20 -53.9 -47.32 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.127 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.04 -20.79 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.019 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.429 ' HA ' ' CD2' ' A' ' 65' ' ' LEU . 35.1 mt -74.53 -38.58 46.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -57.88 -55.11 48.45 Favored Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.569 -179.28 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.516 ' CD ' ' O ' ' A' ' 60' ' ' ASP . 45.4 Cg_exo -38.72 -53.6 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.323 2.682 . . . . 0.0 114.009 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -66.73 -34.06 77.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.133 0.492 . . . . 0.0 110.7 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 HG23 ' CB ' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -61.51 144.63 92.19 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.005 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.64 157.56 2.34 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.769 2.313 . . . . 0.0 112.796 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -74.13 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -33.93 23.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' CB ' HG23 ' A' ' 66' ' ' ILE . 17.1 m170 -64.72 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.464 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -59.8 -43.18 94.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.409 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.41 -55.5 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -32.64 74.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.391 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.19 -43.17 74.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.212 0.529 . . . . 0.0 109.781 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.83 -33.93 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.426 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.27 -32.0 72.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.8 -35.55 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.2 p -103.64 92.99 4.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.11 -170.1 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.56 2.174 . . . . 0.0 112.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 mtp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.745 0.307 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.2 -47.55 19.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.96 129.2 35.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.39 -47.95 0.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 t -74.76 -25.95 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.9 75.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.8 -54.79 40.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.695 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.82 -32.81 73.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' CD1' HG21 ' A' ' 13' ' ' VAL . 15.7 t80 -60.1 -52.27 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -60.77 -37.33 81.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.739 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.37 -43.96 84.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.203 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -67.09 -50.74 60.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.434 HG21 ' CD1' ' A' ' 9' ' ' PHE . 23.8 t -52.32 -48.76 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.31 -30.69 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.813 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -68.93 -50.88 45.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.41 -39.82 22.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.518 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 mt -89.99 -74.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 71.89 1.49 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.883 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -97.82 152.71 18.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.53 -37.85 24.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.08 75.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -35.06 79.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.716 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -38.53 76.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.756 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -33.67 75.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -52.14 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -62.28 -32.09 72.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.72 78.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -38.39 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.17 -53.28 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.67 -46.19 91.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.673 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.9 -36.65 70.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.3 mtp -79.85 -32.34 40.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.546 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.415 ' CE2' HD12 ' A' ' 66' ' ' ILE . 70.9 t80 -62.2 -31.2 71.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -72.14 -45.07 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.62 -42.8 57.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -77.4 -45.04 27.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mmt 61.57 58.6 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -141.3 105.9 4.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -60.45 -29.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.53 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.31 -36.41 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD11 ' CG ' ' A' ' 33' ' ' TYR . 13.3 tp -58.27 -41.71 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.39 -44.23 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.56 -57.02 21.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.8 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.6 mt -55.09 -33.98 63.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.55 -50.3 22.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 mt -50.03 -37.59 33.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.283 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -92.13 -45.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.694 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 13.3 mt -90.66 24.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.681 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.0 p30 -62.29 -46.86 86.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -44.03 119.03 3.19 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.96 -52.31 4.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.916 2.411 . . . . 0.0 112.594 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.5 p -64.77 -21.41 66.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.925 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 50' ' ' ILE . 1.3 ttt180 -89.13 -15.72 33.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 34.7 mt -52.03 -46.44 93.02 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.7 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -45.24 -25.65 2.05 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.497 2.131 . . . . 0.0 112.888 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -32.28 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.248 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD2' ' OH ' ' A' ' 74' ' ' TYR . 12.5 m-85 -50.37 -33.76 21.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 t0 -53.64 -49.78 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 9' ' ' PHE . . . -71.65 -17.95 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.3 mm -74.54 -40.09 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 6.6 mtt85 -57.45 -52.67 72.53 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.614 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 63' ' ' ARG . 86.9 Cg_exo -41.48 -52.6 3.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.94 2.427 . . . . 0.0 113.159 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.82 -23.12 67.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.323 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -75.97 143.7 74.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.078 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.1 157.87 2.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.681 2.254 . . . . 0.0 112.486 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -65.87 0.49 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -58.25 -32.67 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -63.63 -30.12 71.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.975 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.77 -50.14 74.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.092 0.472 . . . . 0.0 110.406 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.55 -50.47 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.581 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.97 -32.24 73.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.424 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' OH ' ' CD2' ' A' ' 59' ' ' PHE . 58.3 t80 -58.86 -40.11 83.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.63 -32.3 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.287 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -65.07 -29.74 70.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.5 p -74.94 154.38 86.83 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -62.06 -166.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.581 2.187 . . . . 0.0 112.315 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 ' HG2' ' A' ' 64' ' ' PRO . 12.9 t . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.45 -47.49 69.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.318 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -61.69 -54.74 38.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.676 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.46 -32.84 69.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.503 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.79 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.5 t80 -61.1 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.701 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.52 94.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -65.73 -46.79 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.732 ' HD3' HD11 ' A' ' 16' ' ' LEU . 1.5 tttm -57.44 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 9' ' ' PHE . 21.6 t -52.66 -45.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.28 -43.17 99.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.138 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -50.99 45.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.732 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -65.59 -53.66 38.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.32 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.765 HG22 ' H ' ' A' ' 19' ' ' ASN . 28.3 mm -71.72 -70.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 73.77 1.37 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.619 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.765 ' H ' HG22 ' A' ' 17' ' ' ILE . 23.8 m-80 -109.0 149.29 29.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.26 -46.44 16.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.64 82.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.56 -43.98 93.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.691 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -34.39 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.565 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -62.55 -46.05 90.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -66.26 -46.69 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 110.584 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.701 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -42.44 71.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.8 HG12 HD12 ' A' ' 42' ' ' LEU . 29.6 t -59.17 -43.4 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.76 -44.4 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.672 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -36.33 70.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.618 ' O ' HG23 ' A' ' 36' ' ' THR . 3.8 mmt -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.717 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.691 ' OH ' HG22 ' A' ' 39' ' ' VAL . 36.6 t80 -59.23 -30.08 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -68.15 -52.67 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -74.69 -39.85 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 32' ' ' MET . 39.8 p -74.15 -42.78 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.026 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmt 61.05 39.65 16.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -115.09 102.21 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 43' ' ' VAL . 15.2 t -66.44 -30.12 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.12 -36.3 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD12 HG12 ' A' ' 29' ' ' VAL . 2.7 tp -59.99 -50.64 72.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -62.11 -40.03 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.36 -61.4 7.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.581 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -57.45 -46.58 83.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 42' ' ' LEU . 18.1 mt -55.87 -29.8 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 15.8 mttt -74.17 -49.88 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.684 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.66 -36.56 62.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.337 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.3 p -92.29 -47.14 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.57 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.826 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.5 mt -90.82 22.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.689 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.1 m-20 -59.12 -39.06 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.361 . . . . 0.0 110.715 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.26 114.48 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.016 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.89 -29.72 2.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.789 2.326 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -67.57 -28.59 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.826 ' HB3' HG23 ' A' ' 50' ' ' ILE . 56.6 mtt-85 -88.49 -12.49 42.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.515 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 13.6 mt -49.69 -49.14 74.65 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 76.4 Cg_exo -49.35 -25.89 10.84 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.469 2.113 . . . . 0.0 112.458 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 62' ' ' ILE . 1.2 tt -58.17 -35.0 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -50.15 -30.26 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 7.2 m-20 -53.62 -51.44 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.369 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.54 -23.35 61.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.739 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 66' ' ' ILE . 34.3 mm -68.5 -36.59 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 111.474 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 13.2 mtm-85 -57.44 -59.03 14.16 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.385 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.674 ' HG2' HG11 ' A' ' 5' ' ' VAL . 72.5 Cg_exo -39.64 -50.72 3.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.175 2.584 . . . . 0.0 113.055 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.75 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 110.736 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.445 HG23 ' CB ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -74.16 145.53 83.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 73.8 Cg_exo -51.42 157.4 4.84 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.836 2.358 . . . . 0.0 112.776 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -32.19 6.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CB ' HG23 ' A' ' 66' ' ' ILE . 14.1 m170 -64.82 -35.44 81.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.661 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.74 -49.85 76.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.347 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.52 -51.8 60.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.676 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' OH ' HD13 ' A' ' 46' ' ' LEU . 2.2 t80 -56.39 -42.64 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 109.642 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.637 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -65.61 -32.63 74.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.85 -49.57 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.985 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.713 HG11 ' HG2' ' A' ' 64' ' ' PRO . 21.2 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.7 0.286 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -65.23 -53.21 47.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.614 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.53 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.611 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.786 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.2 t80 -62.95 -53.78 48.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -58.64 -42.95 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -53.35 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.301 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 12.8 ptmm? -59.02 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.414 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 9' ' ' PHE . 97.8 t -55.69 -48.54 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.51 -42.03 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -68.79 -37.03 79.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.671 HD13 HD12 ' A' ' 58' ' ' LEU . 2.0 mt -79.89 -68.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.078 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 19' ' ' ASN . 25.9 mt -73.44 -65.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.203 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 76.31 1.37 3.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.693 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.6 ' H ' HG22 ' A' ' 17' ' ' ILE . 94.7 m-20 -99.63 128.0 45.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.87 -34.25 73.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.75 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB2' HG21 ' A' ' 17' ' ' ILE . 4.8 mm-40 -64.34 -37.36 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.64 -39.92 84.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.4 -31.41 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.627 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -72.1 -46.54 56.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.77 179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 27' ' ' TYR . 4.3 pp -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.805 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -72.32 -37.68 68.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -46.92 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.612 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.919 HG12 HD12 ' A' ' 42' ' ' LEU . 25.4 t -63.42 -38.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.92 -39.61 69.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -46.81 83.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 36' ' ' THR . 13.5 mtp -74.96 -29.28 60.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.747 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.77 ' HB2' HD13 ' A' ' 42' ' ' LEU . 45.0 t80 -60.95 -37.28 81.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -47.51 71.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -51.94 12.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 32' ' ' MET . 21.9 p -67.14 -40.67 86.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.243 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.71 67.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 0.0 110.689 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HB3' HG23 ' A' ' 41' ' ' VAL . 5.1 m-20 -137.13 98.04 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.897 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.6 t -64.66 -32.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.09 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 38' ' ' ASP . 29.8 t -73.5 -36.97 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.919 HD12 HG12 ' A' ' 29' ' ' VAL . 13.2 tp -63.07 -46.54 86.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.011 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 39' ' ' VAL . 35.8 t -57.43 -39.77 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.0 -52.79 45.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.673 ' HB2' HG11 ' A' ' 29' ' ' VAL . 1.2 m-20 -62.63 -50.97 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.663 HD12 ' HG ' ' A' ' 42' ' ' LEU . 8.8 mt -57.16 -29.16 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -74.13 -52.51 12.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 45' ' ' ASP . 3.2 mt -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.259 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -90.17 -46.94 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.434 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.6 mt -92.79 23.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LYS . 10.4 p30 -58.2 -40.74 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.5 113.5 3.68 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 97.0 Cg_exo -41.82 -30.9 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.945 2.43 . . . . 0.0 112.684 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -67.66 -38.32 83.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.809 ' HB3' HG23 ' A' ' 50' ' ' ILE . 34.9 mtt-85 -76.98 -5.94 50.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.443 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 37.4 mt -51.7 -58.02 12.51 Favored Pre-proline 0 CA--C 1.53 0.202 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 2.1 Cg_endo -45.52 -27.11 3.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.759 2.306 . . . . 0.0 112.526 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.671 HD12 HD13 ' A' ' 16' ' ' LEU . 3.3 tp -56.99 -31.73 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.058 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -51.64 -30.35 21.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -53.73 -48.96 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.111 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -71.65 -21.69 61.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.453 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.644 HG22 HD12 ' A' ' 66' ' ' ILE . 25.1 mm -71.14 -35.25 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -58.37 18.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.713 ' HG2' HG11 ' A' ' 5' ' ' VAL . 64.2 Cg_exo -39.68 -48.75 3.47 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.22 2.613 . . . . 0.0 113.026 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 61' ' ' ALA . 1.5 mp -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.439 0.638 . . . . 0.0 109.818 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 62' ' ' ILE . 2.5 mt -66.56 138.57 95.65 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.663 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 52.3 Cg_exo -52.66 157.54 7.29 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.623 2.215 . . . . 0.0 112.636 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -74.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.07 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -48.93 -34.49 12.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.026 0.441 . . . . 0.0 110.569 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 12.7 m170 -66.08 -38.06 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -60.49 -44.38 96.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.369 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -59.02 -55.69 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -37.48 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.618 ' OH ' HD13 ' A' ' 46' ' ' LEU . 3.0 t80 -54.03 -40.94 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.67 -32.5 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.412 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -30.11 71.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -90.12 -37.33 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 64' ' ' PRO . 12.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.717 0.294 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -40.36 63.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -61.32 -54.71 40.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.486 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.885 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.4 t80 -66.01 -53.09 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.772 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.94 -41.82 75.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -62.62 -51.78 65.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.312 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.564 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.7 ptpt -64.99 -43.01 93.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.463 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 9' ' ' PHE . 85.3 t -53.1 -51.7 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.22 -29.66 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.93 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 58' ' ' LEU . 1.2 pp -82.01 -31.91 30.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.341 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.788 HG22 ' H ' ' A' ' 19' ' ' ASN . 26.0 mt -95.56 -80.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 1.44 3.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.754 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.788 ' H ' HG22 ' A' ' 17' ' ' ILE . 16.2 m-20 -71.72 -17.36 62.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.593 0.235 . . . . 0.0 111.271 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.13 -61.85 0.48 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.38 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.33 73.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.11 -35.61 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -67.26 -35.49 79.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.63 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.74 -33.44 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.287 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -52.52 34.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 26' ' ' LEU . 1.9 pp -61.13 -34.59 75.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.664 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.68 -35.27 74.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.58 -42.36 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.534 HG12 HD12 ' A' ' 42' ' ' LEU . 42.9 t -64.82 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.29 -46.79 82.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -47.03 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.726 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 36' ' ' THR . 4.0 mmm -76.19 -29.71 57.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.624 ' CG ' HD13 ' A' ' 42' ' ' LEU . 33.1 t80 -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.582 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -72.89 -41.01 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -74.88 -44.0 51.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 32' ' ' MET . 27.3 p -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt 61.53 57.32 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.535 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -128.35 96.75 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.6 t -61.05 -31.32 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.79 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.7 t -73.48 -36.63 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 33' ' ' TYR . 3.6 tp -59.59 -46.85 87.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 39' ' ' VAL . 20.0 t -60.92 -40.4 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.55 -59.23 11.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.62 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.733 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.2 t0 -59.03 -50.16 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.522 HD12 ' HG ' ' A' ' 42' ' ' LEU . 32.9 mt -55.94 -29.07 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -72.7 -47.54 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.785 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.5 mt -57.17 -37.9 72.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.28 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -86.58 -45.27 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 50' ' ' ILE . 30.4 mt -86.97 13.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.699 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.9 p-10 -53.16 -42.33 66.03 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.8 115.21 8.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 89.1 Cg_exo -42.72 -31.38 2.04 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.938 2.425 . . . . 0.0 112.635 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 -30.38 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.748 ' HB3' HD12 ' A' ' 58' ' ' LEU . 15.4 mtt85 -87.28 -8.92 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.492 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.467 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 20.6 mt -46.42 -48.27 46.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.0 Cg_exo -48.57 -25.1 7.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.748 HD12 ' HB3' ' A' ' 55' ' ' ARG . 20.4 mt -56.68 -42.12 78.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -49.86 -38.55 35.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 111.193 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 m-20 -53.57 -44.94 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.484 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . . . -71.91 -26.57 62.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.585 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' HA ' HD21 ' A' ' 65' ' ' LEU . 28.3 mm -66.22 -38.11 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.399 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.476 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -57.39 -59.8 11.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.317 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.636 ' HB3' HG21 ' A' ' 5' ' ' VAL . 81.5 Cg_exo -46.12 -52.9 6.49 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.833 2.355 . . . . 0.0 112.986 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 62' ' ' ILE . 3.6 pp -65.83 -14.62 61.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.582 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.435 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -93.61 142.61 25.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.712 0.292 . . . . 0.0 111.192 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.7 Cg_endo -46.46 157.48 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.189 2.593 . . . . 0.0 112.922 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -53.39 -68.68 0.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.81 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -45.32 -44.66 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 111.148 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 8.7 m170 -69.45 -27.39 65.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.275 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 29.9 mt-30 -62.17 -54.74 36.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.167 0.508 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.47 -46.09 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.529 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -37.25 86.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.45 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 2.8 t80 -56.42 -38.99 72.32 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.58 -32.48 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -29.82 70.4 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mt -92.92 -45.34 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.4 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.0 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.822 HG11 ' CG ' ' A' ' 64' ' ' PRO . 11.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.694 0.283 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.51 76.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -47.63 84.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 3.6 mt-10 -62.58 -40.28 96.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.455 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.5 t80 -60.16 -32.7 71.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.567 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -70.64 -52.09 23.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.352 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.444 ' CD2' ' HA ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.26 -45.31 80.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.229 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -57.34 -57.98 10.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.103 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 17' ' ' ILE . 97.6 t -52.53 -44.68 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.32 -29.3 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.003 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.97 -50.81 45.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -83.43 -45.08 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.567 -179.516 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.801 HG22 ' H ' ' A' ' 19' ' ' ASN . 18.7 mt -88.19 -73.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 74.39 1.26 3.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.77 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.801 ' H ' HG22 ' A' ' 17' ' ' ILE . 62.5 m-80 -98.36 143.49 28.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.982 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -33.86 29.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -51.21 59.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.74 -34.02 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.63 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 10.5 mtmt -69.62 -35.12 74.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.662 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -72.92 -31.14 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.468 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.7 t80 -70.8 -47.84 57.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.755 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -65.69 -34.21 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -39.05 82.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.71 -41.55 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 25' ' ' TYR . 29.8 t -61.38 -48.67 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -55.13 -38.54 68.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 mtp -83.8 -30.05 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.716 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.709 ' CG ' HD13 ' A' ' 42' ' ' LEU . 27.3 t80 -60.15 -32.04 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.758 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -45.14 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.69 -42.36 58.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.9 p -78.63 -37.77 41.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mtt 62.9 41.07 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -107.49 98.8 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG22 ' OH ' ' A' ' 33' ' ' TYR . 23.6 t -69.21 -36.88 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.194 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.91 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.244 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.47 -36.3 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.709 HD13 ' CG ' ' A' ' 33' ' ' TYR . 7.5 tp -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.164 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -60.37 -39.52 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -55.85 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.731 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' LEU . 8.4 t0 -61.07 -37.74 83.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 111.106 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.762 HD23 HD12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.73 -33.91 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -74.01 -51.61 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.035 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.6 mt -56.4 -33.52 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.1 p -89.52 -46.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.399 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.791 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.3 mt -92.0 20.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.737 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.9 m-20 -55.09 -41.31 71.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.75 113.94 7.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.698 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.425 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 95.9 Cg_exo -41.43 -28.85 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.051 2.501 . . . . 0.0 112.946 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -67.64 -33.94 75.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . 48.8 mtt-85 -82.21 -12.21 58.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.527 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 27.1 mt -45.67 -57.79 7.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -43.58 -27.99 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.803 2.335 . . . . 0.0 112.862 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.692 HD22 HD11 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -55.21 -32.04 61.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -49.94 -36.39 27.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 m-20 -53.77 -46.35 70.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -25.48 62.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.417 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.978 HG22 HD12 ' A' ' 66' ' ' ILE . 34.3 mm -67.53 -36.14 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.369 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.438 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 7.6 mtm180 -57.28 -59.82 11.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.655 0.264 . . . . 0.0 111.047 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.822 ' CG ' HG11 ' A' ' 5' ' ' VAL . 75.3 Cg_exo -41.25 -50.57 4.36 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.068 2.512 . . . . 0.0 112.777 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD11 ' CE2' ' A' ' 9' ' ' PHE . 31.1 mt -65.99 -35.23 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 0.0 110.26 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.978 HD12 HG22 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -71.69 125.01 91.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.666 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.9 Cg_endo -48.43 157.46 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.592 2.195 . . . . 0.0 112.419 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.12 -72.25 0.05 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.64 -179.329 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -51.14 6.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 111.43 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 16.4 m170 -65.14 -27.96 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -54.41 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.061 0.458 . . . . 0.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.97 -49.49 81.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.67 -35.07 79.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE1' HG22 ' A' ' 43' ' ' VAL . 29.6 t80 -56.78 -39.85 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.71 -33.25 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.3 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.74 -34.66 78.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.835 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.08 -40.24 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.817 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.794 HG11 ' HG2' ' A' ' 64' ' ' PRO . 13.9 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.709 0.29 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.7 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -63.07 -49.23 75.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.74 -31.45 72.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.76 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.3 t80 -60.38 -47.41 86.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -67.84 -41.95 82.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -64.12 -53.28 52.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -59.33 -45.85 90.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.214 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 9' ' ' PHE . 57.4 t -52.77 -51.64 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.786 0.327 . . . . 0.0 110.72 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -62.2 -29.02 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.91 -50.79 46.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.264 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.617 HD12 HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -76.76 -56.87 4.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.23 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 19' ' ' ASN . 20.1 mt -73.29 -70.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 75.2 1.35 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.706 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.77 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.6 m-20 -96.0 137.45 35.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.31 -40.0 45.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.08 78.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.05 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.12 -34.46 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.5 mtmt -71.06 -35.76 72.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.76 -35.96 75.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 29' ' ' VAL . 17.2 t80 -66.38 -50.55 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.4 pp -63.8 -31.48 72.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.728 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -42.81 90.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.2 -37.97 86.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.723 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 25' ' ' TYR . 27.2 t -60.27 -49.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.09 -43.5 98.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.412 ' O ' HG23 ' A' ' 36' ' ' THR . 2.2 mmt -82.71 -30.6 29.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.696 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.535 ' OH ' HG22 ' A' ' 39' ' ' VAL . 35.2 t80 -61.15 -34.03 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -71.79 -44.7 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.77 -44.33 50.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 32' ' ' MET . 43.2 p -77.11 -39.35 49.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.066 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.96 55.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -121.95 96.89 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.2 t -66.35 -38.79 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.167 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.58 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.79 -36.26 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 66' ' ' ILE . 4.8 tp -61.64 -51.63 67.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.4 t -58.83 -42.43 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.312 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.13 -61.36 7.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.618 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.684 ' HA ' HD12 ' A' ' 48' ' ' LEU . 5.2 m-20 -59.51 -49.75 76.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 111.043 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.556 HD12 ' HG ' ' A' ' 42' ' ' LEU . 18.2 mt -56.65 -27.76 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mttp -73.8 -51.46 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 45' ' ' ASP . 1.7 mt -56.99 -32.36 66.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.369 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -90.11 -45.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.324 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 50' ' ' ILE . 29.5 mt -88.46 14.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.525 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.2 p30 -58.58 -38.03 77.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.766 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.2 115.43 9.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -42.72 -30.18 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.839 2.359 . . . . 0.0 112.656 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -67.71 -31.1 70.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.607 HH21 HG23 ' A' ' 17' ' ' ILE . 4.0 mtt85 -88.85 -0.71 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.518 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 17.7 mt -55.68 -49.07 94.9 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.533 0.206 . . . . 0.0 111.365 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -52.14 -23.89 18.71 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.371 2.047 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.613 HD22 HD11 ' A' ' 62' ' ' ILE . 1.3 tt -59.02 -40.26 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.156 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CE1' HD12 ' A' ' 50' ' ' ILE . 28.1 m-85 -50.2 -35.68 27.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.247 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.77 -46.25 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -71.79 -25.46 62.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.855 HG22 HD12 ' A' ' 66' ' ' ILE . 34.8 mm -68.01 -35.78 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.358 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.406 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 4.1 mtm180 -57.32 -59.64 12.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.794 ' HG2' HG11 ' A' ' 5' ' ' VAL . 66.6 Cg_exo -40.06 -51.65 3.08 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.077 2.518 . . . . 0.0 112.901 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 9' ' ' PHE . 1.9 mt -66.29 -37.36 85.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.855 HD12 HG22 ' A' ' 62' ' ' ILE . 3.7 mt -67.07 139.87 95.59 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.527 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 87.4 Cg_exo -47.28 156.1 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.649 2.233 . . . . 0.0 112.733 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.29 -45.52 72.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.373 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -79.4 -34.59 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.66 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 13.1 m-70 -67.69 -33.45 74.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.346 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.424 ' HA ' HG21 ' A' ' 66' ' ' ILE . 8.3 pt20 -67.3 -36.54 81.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.346 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.1 t -65.4 -51.88 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.526 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -38.12 81.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.372 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.661 ' CD1' HG22 ' A' ' 43' ' ' VAL . 61.0 t80 -54.26 -40.45 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.0 109.648 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.64 -34.88 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.247 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.74 -32.27 73.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.83 -34.57 39.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.653 HG11 ' HG2' ' A' ' 64' ' ' PRO . 11.6 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.775 0.321 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.84 83.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 111.211 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.41 -54.69 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.4 -30.33 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.673 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.802 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.3 t80 -60.38 -53.86 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -63.71 -40.01 95.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.27 -48.94 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.397 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.675 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -66.43 -47.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.459 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.816 HG22 HD21 ' A' ' 58' ' ' LEU . 94.4 t -52.66 -49.71 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.722 0.296 . . . . 0.0 111.225 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.92 -32.11 73.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -68.87 -50.77 46.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.45 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.994 HD11 HD23 ' A' ' 58' ' ' LEU . 1.1 pp -79.98 -30.21 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.412 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.778 HD12 HG13 ' A' ' 13' ' ' VAL . 16.8 mt -103.1 -74.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 111.331 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 73.92 1.4 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.679 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.742 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.3 m120 -98.39 121.1 39.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -33.08 74.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.43 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.593 ' OE1' HG23 ' A' ' 17' ' ' ILE . 3.1 mt-10 -65.71 -35.51 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.806 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -66.94 -35.26 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.602 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.85 -33.33 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.389 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.61 -50.03 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.576 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.0 pp -63.85 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -35.02 77.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.61 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.95 -42.19 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.983 HG12 HD12 ' A' ' 42' ' ' LEU . 21.2 t -61.01 -48.34 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.7 -40.68 92.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -56.45 -42.0 77.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.74 ' CE ' HG21 ' A' ' 36' ' ' THR . 6.1 ptm -83.07 -28.37 29.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.793 ' OH ' HG22 ' A' ' 39' ' ' VAL . 14.4 t80 -60.14 -34.51 73.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.751 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -48.18 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -74.83 -54.72 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.74 HG21 ' CE ' ' A' ' 32' ' ' MET . 70.8 p -62.93 -37.97 89.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt 61.52 34.59 17.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.548 ' CG ' HG23 ' A' ' 41' ' ' VAL . 1.3 t0 -105.03 101.86 11.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.793 HG22 ' OH ' ' A' ' 33' ' ' TYR . 22.1 t -65.18 -40.63 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.92 77.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.548 HG23 ' CG ' ' A' ' 38' ' ' ASP . 25.1 t -73.47 -43.45 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.983 HD12 HG12 ' A' ' 29' ' ' VAL . 4.0 tp -60.54 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -66.69 -40.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.68 -61.36 7.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.604 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.626 ' HA ' HD12 ' A' ' 48' ' ' LEU . 17.5 t0 -59.43 -46.91 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.6 HD12 ' HG ' ' A' ' 42' ' ' LEU . 20.1 mt -57.64 -29.41 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.1 ttpt -73.68 -44.31 57.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 45' ' ' ASP . 9.4 mt -59.71 -36.67 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -87.56 -45.55 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 50' ' ' ILE . 26.8 mt -86.54 11.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.712 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.7 m-20 -51.83 -43.35 63.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -49.6 115.72 5.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 84.7 Cg_exo -43.55 -33.92 4.84 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.806 2.337 . . . . 0.0 112.687 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -67.65 -25.58 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -89.92 0.0 57.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.655 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 78.0 mt -56.98 -45.75 99.93 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.451 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.8 Cg_exo -49.8 -25.22 11.36 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.295 1.996 . . . . 0.0 112.525 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.994 HD23 HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.78 -47.06 83.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -49.95 -37.63 32.9 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.139 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.73 -44.52 69.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.675 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . . . -71.89 -27.8 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.435 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.695 HG22 HD12 ' A' ' 66' ' ' ILE . 31.7 mm -65.54 -37.31 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.594 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.432 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -57.19 -59.76 11.73 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.653 ' HG2' HG11 ' A' ' 5' ' ' VAL . 85.5 Cg_exo -41.81 -48.72 5.82 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.048 2.498 . . . . 0.0 112.883 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 9' ' ' PHE . 36.5 mt -66.13 -33.23 75.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.147 0.499 . . . . 0.0 110.563 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.695 HD12 HG22 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -81.44 141.3 48.97 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.887 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.1 Cg_endo -46.79 157.38 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.02 2.48 . . . . 0.0 112.67 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -50.87 -70.66 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.513 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -42.32 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 25.2 m170 -68.92 -30.93 69.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.176 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 66' ' ' ILE . 40.0 mt-30 -63.14 -49.08 75.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.24 -49.88 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.14 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' HG11 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.77 -41.79 95.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.848 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 43' ' ' VAL . 38.7 t80 -53.83 -39.42 65.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.2 0.524 . . . . 0.0 109.674 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -72.75 -30.99 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.355 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.72 -30.0 70.61 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.39 -38.9 13.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.891 HG21 ' HB3' ' A' ' 64' ' ' PRO . 16.0 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.742 0.306 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.24 69.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.229 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -52.04 62.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.586 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -32.96 70.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.808 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.4 t80 -62.34 -48.5 79.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.565 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -59.21 -42.0 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -68.59 -45.33 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.772 ' HD2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.87 -55.6 24.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 58' ' ' LEU . 41.9 t -52.44 -44.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.69 -40.85 93.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.772 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -68.84 -35.92 77.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.937 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.772 HD11 ' HD2' ' A' ' 12' ' ' LYS . 2.8 mt -81.55 -66.85 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.592 HD12 ' CG1' ' A' ' 13' ' ' VAL . 23.8 mt -68.77 -60.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.252 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 75.84 1.31 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.673 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.547 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.3 t-20 -99.98 178.73 4.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.68 -39.26 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -46.84 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.59 -41.39 97.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.5 ttmt -66.68 -31.62 72.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.59 64.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.664 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -70.32 -47.15 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.817 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -38.44 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.592 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.22 -42.48 96.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 25' ' ' TYR . 34.9 t -63.98 -42.21 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 65' ' ' LEU . 12.1 mt -67.34 -45.4 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.732 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -55.88 -39.19 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.5 mtp -82.8 -32.15 27.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.791 ' OH ' HG22 ' A' ' 39' ' ' VAL . 10.8 t80 -59.66 -30.27 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.57 -48.69 59.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -74.7 -42.9 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.8 p -75.7 -38.74 58.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 64.64 37.51 7.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.648 ' HB3' HG23 ' A' ' 41' ' ' VAL . 73.3 m-20 -105.92 98.98 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.791 HG22 ' OH ' ' A' ' 33' ' ' TYR . 24.5 t -61.64 -45.66 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.8 68.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.5 t -73.46 -36.34 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.741 HD22 ' CE2' ' A' ' 33' ' ' TYR . 7.0 tp -68.74 -49.76 56.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.4 t -57.22 -46.14 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.255 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.11 -53.91 36.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.774 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -59.93 -47.07 87.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 50' ' ' ILE . 13.2 mt -57.58 -33.78 68.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -42.39 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.4 mt -56.1 -53.09 61.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 25' ' ' TYR . 2.2 p -64.08 -46.06 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.286 0.565 . . . . 0.0 110.474 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.919 HD13 ' CE1' ' A' ' 59' ' ' PHE . 28.9 mt -66.53 -87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.441 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.598 ' N ' HG22 ' A' ' 50' ' ' ILE . 68.8 m-20 52.08 41.2 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.718 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 50' ' ' ILE . 43.2 mt-10 -158.8 125.95 2.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.967 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 56' ' ' LEU . 52.4 Cg_exo -54.66 -26.32 45.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 0.0 112.226 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -67.74 -30.48 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.891 ' HB2' HG23 ' A' ' 50' ' ' ILE . 8.1 mtp85 -89.37 -14.06 36.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.508 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 53' ' ' PRO . 11.2 mt -47.36 -49.78 51.87 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.386 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 66.6 Cg_exo -50.81 -25.08 14.66 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.311 2.007 . . . . 0.0 112.233 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.088 HD23 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -58.93 -38.92 80.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.919 ' CE1' HD13 ' A' ' 50' ' ' ILE . 34.3 m-85 -50.24 -35.54 27.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 t70 -53.89 -49.48 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.234 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.94 61.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.669 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.088 HD11 HD23 ' A' ' 58' ' ' LEU . 72.6 mt -68.49 -35.22 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.33 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 14.2 mtp180 -57.9 -59.31 13.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.339 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.891 ' HB3' HG21 ' A' ' 5' ' ' VAL . 64.7 Cg_exo -39.67 -52.62 2.55 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.262 2.641 . . . . 0.0 113.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.554 HD11 HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.91 -29.88 70.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.784 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.635 HD12 HG22 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -76.8 138.65 66.08 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.4 Cg_endo -49.48 157.57 2.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.724 2.283 . . . . 0.0 112.573 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.23 -71.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.532 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -43.03 -47.08 5.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.458 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 23.0 m170 -64.78 -37.29 87.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -46.01 89.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.473 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.5 t -59.22 -55.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' OE2' HD11 ' A' ' 77' ' ' LEU . 2.9 tt0 -61.46 -37.63 84.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -54.62 -39.93 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.19 0.519 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -32.55 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.443 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.75 -29.82 70.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD11 ' OE2' ' A' ' 73' ' ' GLU . 4.1 mt -93.75 -40.12 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.324 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.852 HG11 ' CB ' ' A' ' 64' ' ' PRO . 4.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.674 0.273 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.88 73.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.002 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -46.35 87.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.487 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -35.55 80.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 13' ' ' VAL . 40.4 t80 -60.24 -49.65 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.49 87.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.612 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -37.03 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.775 ' CD ' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -64.08 -54.65 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.813 HG22 HD11 ' A' ' 58' ' ' LEU . 33.7 t -53.16 -47.84 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.208 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -59.18 -37.66 77.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -41.51 78.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.775 HD11 ' CD ' ' A' ' 12' ' ' LYS . 1.5 mt -82.81 -67.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.642 HD12 HG13 ' A' ' 13' ' ' VAL . 19.1 mt -73.5 -65.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.252 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 76.71 1.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.53 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.636 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 8.2 t-20 -95.48 117.26 30.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -59.01 -34.1 71.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -63.81 -57.51 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -35.82 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.519 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HG2' HG11 ' A' ' 13' ' ' VAL . 4.9 mtmt -68.29 -45.09 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.688 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.572 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.62 -51.42 35.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.695 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 26' ' ' LEU . 1.1 pp -67.33 -31.74 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.801 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -39.02 85.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.582 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.62 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.959 HG12 HD12 ' A' ' 42' ' ' LEU . 31.3 t -60.2 -45.36 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.94 -47.69 82.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -37.95 69.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.793 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' THR . 11.0 mtp -79.92 -31.59 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.603 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.811 ' CE2' HD11 ' A' ' 66' ' ' ILE . 49.2 t80 -60.38 -35.07 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -63.96 -51.17 65.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -74.7 -52.54 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' MET . 27.8 p -62.99 -41.16 99.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.87 39.95 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.2 m-20 -112.57 100.68 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 43' ' ' VAL . 23.0 t -67.13 -31.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.3 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.1 t -73.26 -36.47 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.959 HD12 HG12 ' A' ' 29' ' ' VAL . 6.8 tp -64.63 -41.95 95.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 39' ' ' VAL . 37.9 t -67.5 -50.48 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.18 -46.88 93.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.6 m-20 -61.63 -44.65 96.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.33 -40.98 92.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -43.44 80.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 45' ' ' ASP . 32.6 mt -53.93 -53.04 58.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -68.83 -46.09 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.16 0.505 . . . . 0.0 110.491 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.906 HG23 ' HB2' ' A' ' 55' ' ' ARG . 84.2 mt -65.78 -85.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.486 ' N ' HG22 ' A' ' 50' ' ' ILE . 9.3 p30 45.54 39.46 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.678 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' H ' HG22 ' A' ' 50' ' ' ILE . 37.4 mt-10 -153.23 123.78 3.47 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.116 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.23 -25.58 24.05 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.527 2.151 . . . . 0.0 112.46 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.3 p -67.66 -30.8 70.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.906 ' HB2' HG23 ' A' ' 50' ' ' ILE . 21.2 mtt-85 -92.14 -7.01 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.511 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.9 mt -45.71 -55.82 11.57 Favored Pre-proline 0 CA--C 1.53 0.188 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.5 Cg_endo -46.36 -24.34 2.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.828 2.352 . . . . 0.0 112.702 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.813 HD11 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -63.73 -29.52 70.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.766 0.317 . . . . 0.0 111.04 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.895 ' HA ' HD12 ' A' ' 62' ' ' ILE . 38.8 m-85 -61.52 -51.42 68.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.719 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.9 p30 -53.56 -38.07 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.153 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 -28.59 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.377 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' A' ' 59' ' ' PHE . 18.6 mt -69.18 -35.94 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.56 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -57.17 -56.65 31.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.614 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.852 ' CB ' HG11 ' A' ' 5' ' ' VAL . 29.6 Cg_exo -36.32 -52.82 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.6 2.866 . . . . 0.0 113.909 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -65.7 -30.33 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.811 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -73.74 149.96 88.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 66' ' ' ILE . 51.8 Cg_exo -54.82 156.3 15.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.69 2.26 . . . . 0.0 112.559 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -67.83 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.61 39.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.4 -37.34 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -59.95 -47.48 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.008 0.433 . . . . 0.0 110.598 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -56.8 -52.57 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.84 -33.31 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.474 ' CE1' HG21 ' A' ' 78' ' ' THR . 7.8 t80 -54.13 -43.49 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.697 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.75 -36.34 67.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.44 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.75 -30.94 71.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' CG1' ' A' ' 39' ' ' VAL . 96.0 mt -86.92 -36.6 18.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.763 HG22 HG13 ' A' ' 43' ' ' VAL . 82.8 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.779 HG21 ' HB3' ' A' ' 64' ' ' PRO . 16.3 t . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.688 0.28 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.97 82.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -59.93 -54.8 41.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -30.46 71.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.577 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.809 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.0 t80 -61.41 -53.8 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.79 93.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -62.24 -53.26 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 8.3 ptmt -65.1 -43.07 93.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.199 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.93 HG22 HD11 ' A' ' 58' ' ' LEU . 60.8 t -52.49 -45.56 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -71.89 -30.51 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.729 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.82 -50.99 45.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.457 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.462 HD12 ' CG1' ' A' ' 17' ' ' ILE . 0.6 OUTLIER -78.76 -35.21 44.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.448 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.732 HD12 HG13 ' A' ' 13' ' ' VAL . 12.1 mt -96.61 -65.99 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.78 1.26 3.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.7 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.564 ' HB2' HG22 ' A' ' 17' ' ' ILE . 4.0 m120 -96.48 116.62 29.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.31 -34.36 70.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.31 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' CB ' HG21 ' A' ' 17' ' ' ILE . 7.4 mm-40 -67.9 -36.93 81.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -71.85 -35.6 69.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -34.56 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.74 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.0 t80 -69.08 -49.35 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.674 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.5 pp -65.24 -33.27 75.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.88 -37.32 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.86 -39.47 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.749 HG12 HD12 ' A' ' 42' ' ' LEU . 16.2 t -62.21 -46.88 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.47 -44.68 77.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -56.15 -39.83 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.911 ' O ' HG22 ' A' ' 36' ' ' THR . 0.8 OUTLIER -86.76 -28.6 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.73 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.9 t80 -58.66 -35.23 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -74.68 -55.0 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.31 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 32' ' ' MET . 5.8 t -73.02 -31.73 64.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.238 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.35 36.76 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 36' ' ' THR . 1.0 OUTLIER -102.93 96.97 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG22 ' OH ' ' A' ' 33' ' ' TYR . 15.8 t -63.69 -36.13 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.58 -37.45 78.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD12 HG12 ' A' ' 29' ' ' VAL . 26.1 tp -58.32 -47.0 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.2 t -65.5 -39.42 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.77 -61.35 7.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.634 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.475 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.1 m-20 -57.5 -53.79 54.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.994 0.425 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.645 HD13 ' OH ' ' A' ' 74' ' ' TYR . 51.2 mt -50.76 -28.24 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.727 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 12.7 ttmt -74.12 -44.34 54.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.27 -32.22 66.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.566 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -96.48 -30.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 50' ' ' ILE . 16.2 mt -108.37 25.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -75.44 -6.66 51.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 111.205 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 4.0 mt-10 -97.45 116.71 65.91 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.477 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 73.4 Cg_exo -37.73 -29.7 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.41 2.74 . . . . 0.0 113.318 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' NH1' HG23 ' A' ' 17' ' ' ILE . 4.3 mtt-85 -92.16 3.02 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.921 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.44 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 10.7 mt -53.9 -49.73 87.85 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.562 0.22 . . . . 0.0 111.238 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 71.4 Cg_exo -48.89 -25.59 8.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.151 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 13' ' ' VAL . 58.6 tp -55.62 -42.22 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.195 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.452 ' HA ' HD12 ' A' ' 62' ' ' ILE . 32.0 m-85 -50.15 -33.79 20.13 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -53.69 -49.67 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 9' ' ' PHE . . . -71.89 -27.46 62.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.778 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 59' ' ' PHE . 59.9 mt -67.75 -30.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.438 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.427 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 3.4 mtp180 -63.01 -59.38 12.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.205 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.779 ' HB3' HG21 ' A' ' 5' ' ' VAL . 72.6 Cg_exo -41.84 -52.59 3.85 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.076 2.517 . . . . 0.0 113.108 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.1 pp -65.5 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.336 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -87.9 141.81 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.82 157.2 13.28 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 112.215 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -66.67 0.35 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -46.81 29.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.471 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 8.3 m170 -65.23 -29.89 70.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.948 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.405 ' CG ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -62.12 -54.13 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.143 0.497 . . . . 0.0 110.626 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -57.66 -48.51 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -39.82 94.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 46' ' ' LEU . 29.1 t80 -54.05 -39.86 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -72.58 -32.1 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -65.76 -30.32 70.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 39' ' ' VAL . 18.0 mt -88.85 -45.61 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.052 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 74' ' ' TYR . 69.7 p . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.848 HG21 ' HB3' ' A' ' 64' ' ' PRO . 20.6 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.715 0.293 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.65 83.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.0 ttt-85 -62.45 -47.5 83.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.247 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.94 -30.37 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.379 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 31.1 t80 -62.89 -50.14 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.45 -45.52 93.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -63.63 -53.22 54.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.889 ' HE2' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.256 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.628 HG23 ' HD2' ' A' ' 12' ' ' LYS . 4.0 t -55.34 -43.49 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.811 0.338 . . . . 0.0 110.799 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.58 -34.06 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.97 -50.88 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.263 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -71.88 -52.19 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.733 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -71.13 -70.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.94 1.38 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.778 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.733 ' H ' HG22 ' A' ' 17' ' ' ILE . 68.9 m-20 -111.79 165.54 11.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.813 0.339 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.56 -41.54 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.93 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.032 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.84 -45.02 93.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -59.15 -38.67 80.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.501 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.71 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -65.33 -44.83 86.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.702 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -65.03 -45.5 85.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.06 -35.02 77.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -45.82 83.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.72 HG12 HD12 ' A' ' 42' ' ' LEU . 12.2 t -61.23 -47.64 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 65' ' ' LEU . 5.5 mt -63.01 -49.31 75.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.89 -41.28 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' THR . 38.5 mtp -77.59 -31.44 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.59 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE2' HD22 ' A' ' 42' ' ' LEU . 22.2 t80 -62.34 -31.57 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -70.77 -47.04 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -74.54 -37.74 62.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.039 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 32' ' ' MET . 69.5 p -78.77 -42.42 28.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.31 45.25 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -128.65 104.27 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.5 t -58.35 -30.38 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.201 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.36 96.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -73.54 -36.3 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.721 ' HG ' HD12 ' A' ' 46' ' ' LEU . 12.2 tp -63.83 -52.27 60.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.1 t -62.69 -39.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.26 -61.29 7.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' LEU . 57.4 m-20 -59.45 -51.73 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.754 HD13 ' OH ' ' A' ' 74' ' ' TYR . 15.3 mt -54.94 -28.55 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HE2' HG12 ' A' ' 43' ' ' VAL . 6.8 mtmt -73.99 -52.45 12.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.796 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.0 mt -53.94 -33.24 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.293 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.08 -45.37 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.415 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 50' ' ' ILE . 12.6 mt -91.34 20.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.8 m-20 -61.36 -38.4 86.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.931 0.396 . . . . 0.0 110.679 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 3.0 mm-40 -52.11 115.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 91.7 Cg_exo -42.88 -30.64 1.88 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.852 2.368 . . . . 0.0 112.714 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -67.69 -30.32 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HB3' HG23 ' A' ' 50' ' ' ILE . 58.2 mtt85 -89.74 -0.44 57.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.515 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 18.8 mt -55.98 -47.75 98.14 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.25 -23.88 19.25 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 0.0 112.536 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.913 HD22 HD11 ' A' ' 62' ' ' ILE . 1.2 tt -55.63 -45.34 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.323 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.861 ' HA ' HD12 ' A' ' 62' ' ' ILE . 51.7 m-85 -50.2 -30.23 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.529 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 t0 -53.84 -56.82 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.329 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -71.67 -18.67 62.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.926 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.913 HD11 HD22 ' A' ' 58' ' ' LEU . 65.8 mt -74.49 -30.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.549 0.214 . . . . 0.0 111.555 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.533 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 2.6 mtt180 -65.36 -54.33 32.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.303 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.848 ' HB3' HG21 ' A' ' 5' ' ' VAL . 84.8 Cg_exo -42.05 -52.45 4.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.946 2.431 . . . . 0.0 113.391 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 30' ' ' LEU . 1.4 pp -65.52 -22.34 66.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.399 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -82.2 149.12 61.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.874 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 66' ' ' ILE . 74.1 Cg_exo -50.25 157.43 3.08 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.676 2.251 . . . . 0.0 112.666 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 ' HD2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -50.3 -72.48 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.001 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HD2' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -51.33 -32.35 25.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.992 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -65.68 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.424 ' CG ' HG22 ' A' ' 66' ' ' ILE . 4.9 mt-30 -60.02 -51.61 68.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.006 0.431 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.25 -50.58 76.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.032 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.14 -38.94 93.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.754 ' OH ' HD13 ' A' ' 46' ' ' LEU . 5.9 t80 -54.05 -40.38 67.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -31.7 65.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -65.7 -30.46 71.15 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD13 HG21 ' A' ' 43' ' ' VAL . 11.9 mt -90.6 -40.28 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.126 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 64' ' ' PRO . 23.3 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -67.92 -54.32 19.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.745 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.41 -33.28 69.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.665 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.909 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.3 t80 -64.12 -52.59 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.662 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -61.42 -53.36 57.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 1.1 ptmt -61.2 -41.54 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.964 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 9' ' ' PHE . 89.2 t -52.5 -51.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.738 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -32.94 74.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.229 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -40.43 79.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.799 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 22' ' ' GLU . 26.8 mt -71.38 -66.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 75.97 1.15 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.677 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.711 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.7 t-20 -96.92 130.26 44.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -68.49 -33.1 73.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.34 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.714 ' HB2' HG21 ' A' ' 17' ' ' ILE . 3.1 mm-40 -64.08 -39.54 94.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.21 -31.2 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.742 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.97 -32.3 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -69.62 -49.09 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.736 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -65.61 -33.57 76.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -36.74 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.631 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -68.87 -37.72 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.985 HG12 HD12 ' A' ' 42' ' ' LEU . 28.2 t -65.23 -45.97 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.04 -45.55 88.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -39.26 75.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.28 -30.44 30.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.703 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.592 ' CG ' HD13 ' A' ' 42' ' ' LEU . 39.1 t80 -61.46 -32.17 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.1 -44.05 63.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.75 -41.66 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 p -78.71 -41.2 31.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.015 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm 64.02 40.2 7.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.52 106.16 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.6 t -63.39 -33.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.9 89.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -73.44 -37.96 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.985 HD12 HG12 ' A' ' 29' ' ' VAL . 11.1 tp -62.85 -52.25 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 39' ' ' VAL . 23.2 t -62.49 -39.37 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.38 -61.16 7.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.647 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.804 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.6 m-20 -61.36 -47.38 86.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.991 0.424 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 46' ' ' LEU . 17.3 mt -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ASN . 17.7 ttmt -74.01 -45.49 49.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 45' ' ' ASP . 6.2 mt -56.76 -37.13 70.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.32 -45.01 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.306 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 50' ' ' ILE . 23.5 mt -87.6 15.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.646 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.3 p30 -55.67 -41.56 73.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.903 0.382 . . . . 0.0 110.949 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -49.84 114.84 4.56 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 96.8 Cg_exo -41.44 -30.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.949 2.433 . . . . 0.0 112.763 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -38.17 83.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HB3' HG23 ' A' ' 50' ' ' ILE . 70.2 mtt180 -78.9 -3.75 46.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.599 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 28.5 mt -53.19 -58.86 10.76 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.2 Cg_endo -48.64 -24.75 7.04 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.712 2.275 . . . . 0.0 112.575 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.26 -38.47 71.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 62' ' ' ILE . 24.4 m-85 -51.25 -30.71 18.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 14.3 m-20 -53.83 -49.25 68.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.185 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.442 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -72.35 -18.98 61.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.039 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.5 mt -74.38 -43.16 49.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.47 -51.82 78.86 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.053 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.751 ' HB2' HG11 ' A' ' 5' ' ' VAL . 56.2 Cg_exo -38.53 -53.7 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.138 2.559 . . . . 0.0 114.204 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.34 -28.7 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.171 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -69.86 151.33 96.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 66' ' ' ILE . 71.8 Cg_exo -49.79 157.35 2.62 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.802 2.335 . . . . 0.0 112.617 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.069 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -30.69 9.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -67.13 -36.18 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.624 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.98 -51.98 67.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.092 0.472 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.23 -48.55 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.87 -38.54 89.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.754 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -53.94 -40.83 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.22 0.533 . . . . 0.0 109.749 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -72.71 -33.64 66.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.515 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.77 -27.89 68.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.58 -40.5 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.8 p . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.735 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.876 HG11 ' CB ' ' A' ' 64' ' ' PRO . 16.3 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.07 -39.63 72.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.43 -54.68 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.424 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -34.28 76.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.298 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.668 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.3 t80 -60.1 -52.31 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -57.43 -42.01 81.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -69.11 -36.79 77.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.683 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HD2' HD11 ' A' ' 16' ' ' LEU . 1.1 tmtp? -67.53 -58.82 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.668 HG21 ' CE1' ' A' ' 9' ' ' PHE . 36.1 t -52.57 -43.24 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.05 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -41.81 77.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.928 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.76 HD11 ' HD2' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -76.45 -65.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.667 HG22 ' H ' ' A' ' 19' ' ' ASN . 25.3 mt -77.54 -68.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.227 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.54 1.32 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.667 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.2 m120 -94.14 162.49 13.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -93.43 -38.13 11.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.85 64.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' CB ' HG21 ' A' ' 17' ' ' ILE . 4.9 mp0 -58.19 -44.4 88.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.679 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -58.32 -40.1 81.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.07 -37.1 86.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.484 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -62.31 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -61.22 -47.67 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.388 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.6 -35.38 70.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.3 -40.3 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.783 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.943 HG12 HD12 ' A' ' 42' ' ' LEU . 20.3 t -61.94 -43.42 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -60.0 -37.17 78.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 36' ' ' THR . 2.0 mmt -85.02 -30.88 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.641 ' CG ' HD13 ' A' ' 42' ' ' LEU . 24.6 t80 -61.96 -33.76 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.0 -43.8 56.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -39.65 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 32' ' ' MET . 43.2 p -78.81 -41.14 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.24 61.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -150.05 107.58 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.3 t -58.84 -34.73 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.06 81.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 38' ' ' ASP . 23.7 t -73.45 -36.39 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.943 HD12 HG12 ' A' ' 29' ' ' VAL . 19.3 tp -58.98 -52.2 66.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.092 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.8 t -59.76 -39.62 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.83 -59.07 11.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.554 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.651 ' HA ' HD12 ' A' ' 48' ' ' LEU . 7.4 m-20 -59.2 -49.53 77.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.621 HD12 ' HG ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.54 -32.56 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -73.5 -42.07 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 45' ' ' ASP . 15.1 mt -56.69 -53.12 61.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 25' ' ' TYR . 2.5 p -62.01 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.629 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' A' ' 55' ' ' ARG . 72.8 mt -62.03 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.667 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.474 ' N ' HG22 ' A' ' 50' ' ' ILE . 9.9 m-20 51.93 26.36 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.948 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.623 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.9 mm-40 -145.88 121.04 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.896 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -50.99 -25.23 15.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.357 2.038 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -27.72 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.879 ' HB2' HG23 ' A' ' 50' ' ' ILE . 18.8 mtt-85 -92.16 -7.28 48.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.616 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 9.4 mt -49.54 -50.42 66.13 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-O 120.583 0.23 . . . . 0.0 111.33 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.2 Cg_exo -50.49 -24.42 12.35 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.409 2.073 . . . . 0.0 112.518 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.074 HD23 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -54.99 -43.15 73.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 62' ' ' ILE . 20.1 m-85 -50.13 -30.48 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.114 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.7 t70 -53.83 -52.77 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.81 -22.72 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.766 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.074 HD11 HD23 ' A' ' 58' ' ' LEU . 65.2 mt -71.51 -30.34 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 111.552 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 24.0 mtm-85 -64.98 -56.65 19.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.568 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.876 ' CB ' HG11 ' A' ' 5' ' ' VAL . 63.4 Cg_exo -39.99 -53.02 2.6 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.18 2.587 . . . . 0.0 113.532 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.09 -31.22 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 179.753 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.655 HD12 HG22 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -76.96 135.82 66.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.728 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 6.5 Cg_endo -49.59 157.49 2.31 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.783 2.322 . . . . 0.0 112.639 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.37 -70.44 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.546 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.94 -49.68 5.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.965 0.412 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.9 m170 -67.47 -30.1 69.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.716 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -54.03 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 110.247 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.5 -47.9 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -65.5 -36.93 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.604 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.665 ' O ' HG23 ' A' ' 78' ' ' THR . 49.8 t80 -54.37 -42.54 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -31.66 65.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.12 71.96 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.441 HD12 HG12 ' A' ' 39' ' ' VAL . 15.7 mt -89.94 -45.25 9.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 74' ' ' TYR . 62.7 p . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' ' 64' ' ' PRO . 15.3 t . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.677 0.275 . . . . 0.0 111.36 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.56 84.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -65.21 -54.49 28.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -33.54 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.9 t80 -60.49 -50.31 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.504 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.21 -45.31 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -66.23 -40.21 90.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.808 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.28 -58.55 8.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 58' ' ' LEU . 59.8 t -52.44 -46.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.39 -40.67 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.677 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -44.72 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.808 HD11 ' HD3' ' A' ' 12' ' ' LYS . 1.6 mt -72.58 -67.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 19' ' ' ASN . 21.7 mt -77.86 -67.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.194 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 76.05 1.06 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.69 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.63 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-80 -94.99 114.4 26.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.33 -36.14 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.12 -56.13 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.92 -35.09 74.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 3.7 mtmp? -66.93 -34.81 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.69 64.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.342 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.88 -49.06 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.569 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.545 ' C ' HD12 ' A' ' 26' ' ' LEU . 3.2 pp -64.64 -33.87 76.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.53 -34.05 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.587 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.58 -45.43 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG12 HD12 ' A' ' 42' ' ' LEU . 45.3 t -64.69 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.42 -46.03 91.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -57.71 -45.69 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' THR . 0.1 OUTLIER -71.92 -31.85 66.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.577 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.791 ' CE2' HD22 ' A' ' 42' ' ' LEU . 13.8 t80 -61.4 -34.61 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -48.45 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -74.88 -44.34 49.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' MET . 35.0 p -72.53 -33.87 67.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt 60.76 51.32 4.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.66 96.27 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.899 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.4 t -68.42 -44.89 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.01 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.2 t -73.48 -37.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.791 HD22 ' CE2' ' A' ' 33' ' ' TYR . 6.5 tp -64.57 -45.04 88.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.1 t -61.16 -44.93 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 48' ' ' LEU . . . -57.88 -61.63 7.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.75 -50.47 68.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.82 0.343 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.89 -27.5 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.96 -52.79 11.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.794 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 44' ' ' GLY . 1.1 mt -54.02 -34.43 59.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.77 -45.24 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.246 -179.677 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 55' ' ' ARG . 17.5 mt -90.89 20.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.541 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.8 p30 -57.56 -39.91 77.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -50.03 113.44 3.44 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.44 -30.77 2.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.794 2.329 . . . . 0.0 112.712 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -67.68 -30.78 70.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.714 ' HB3' HG23 ' A' ' 50' ' ' ILE . 78.7 mtt180 -84.62 -14.09 49.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.468 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 26.2 mt -46.68 -58.58 6.57 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.4 Cg_endo -44.42 -27.54 2.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.8 2.334 . . . . 0.0 112.703 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.62 ' CD2' HD11 ' A' ' 62' ' ' ILE . 7.2 tt -56.65 -41.02 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.59 ' HA ' HD12 ' A' ' 62' ' ' ILE . 25.3 m-85 -50.22 -30.09 10.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 74.0 m-20 -53.54 -51.72 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.69 -18.35 62.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.695 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' A' ' 58' ' ' LEU . 35.1 mt -74.41 -34.67 36.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.66 0.267 . . . . 0.0 111.556 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.3 ttp180 -60.39 -56.74 32.33 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.229 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.757 ' HB2' HG11 ' A' ' 5' ' ' VAL . 92.1 Cg_exo -45.7 -52.71 6.49 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.862 2.375 . . . . 0.0 112.791 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.0 pp -65.87 -15.57 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.387 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -82.26 158.68 66.33 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.683 0.278 . . . . 0.0 111.2 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 51.0 Cg_exo -55.48 157.51 14.87 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.772 2.314 . . . . 0.0 112.531 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -51.76 -68.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.04 -36.16 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.447 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.8 m170 -63.68 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.064 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.493 ' CG ' HG22 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -60.24 -56.18 24.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.163 0.506 . . . . 0.0 110.568 179.78 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.08 -46.46 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.59 -41.1 96.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -53.96 -39.58 66.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.174 0.511 . . . . 0.0 109.642 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.79 -31.64 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.44 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -65.63 -32.76 74.51 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.83 -38.58 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.621 HG11 ' CG ' ' A' ' 64' ' ' PRO . 9.5 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.32 -46.1 83.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.331 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -54.79 41.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.72 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.78 -30.4 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.402 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.942 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.2 t80 -63.97 -54.03 40.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -57.12 -45.05 83.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -57.82 -52.98 63.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HE3' ' HB2' ' A' ' 61' ' ' ALA . 4.2 ptpt -62.54 -31.51 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 9' ' ' PHE . 88.6 t -60.75 -51.56 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.672 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.96 -33.82 74.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.2 mt -84.47 -71.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.667 HG23 HH12 ' A' ' 55' ' ' ARG . 19.2 mm -56.69 -58.36 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 77.3 -4.22 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -111.94 169.06 9.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.766 0.317 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 13.9 t0 -102.68 -41.9 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.55 86.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.31 -50.86 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -59.67 -32.49 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -31.56 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.756 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -67.69 -41.27 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.617 HD22 HG11 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -67.77 -45.99 73.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.482 179.791 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -63.74 -34.29 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.09 -45.15 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 25' ' ' TYR . 28.8 t -60.3 -43.04 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.52 -46.08 91.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -56.51 -40.8 75.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.64 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.57 -30.86 47.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.536 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.784 ' OH ' HG22 ' A' ' 39' ' ' VAL . 16.3 t80 -61.54 -31.73 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.615 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.25 -44.12 69.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -40.84 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.7 p -78.69 -37.01 42.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 mmt 61.64 30.94 18.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.552 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -103.7 97.56 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.784 HG22 ' OH ' ' A' ' 33' ' ' TYR . 14.8 t -65.14 -38.96 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.43 81.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.4 t -73.25 -36.4 49.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.711 HD22 ' CD2' ' A' ' 33' ' ' TYR . 50.3 tp -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.6 t -65.63 -39.93 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.187 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.53 -57.09 20.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.707 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.4 t0 -59.99 -45.54 92.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.491 HD12 ' HG ' ' A' ' 42' ' ' LEU . 20.9 mt -58.26 -29.52 65.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.3 tptt -74.05 -52.75 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 0.0 110.987 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.5 mt -53.94 -33.98 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.418 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG11 HD22 ' A' ' 26' ' ' LEU . 1.6 p -92.1 -47.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 0.0 111.544 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.765 HG23 ' HB3' ' A' ' 55' ' ' ARG . 7.9 mt -90.54 21.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.652 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 m-20 -58.64 -41.3 85.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.31 115.5 7.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 56' ' ' LEU . 85.1 Cg_exo -43.2 -30.09 2.03 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.925 2.417 . . . . 0.0 112.73 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 m -67.73 -29.95 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HB3' HG23 ' A' ' 50' ' ' ILE . 70.1 mtt-85 -88.88 -8.52 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.586 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 53' ' ' PRO . 12.8 mt -53.19 -49.94 85.06 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-O 120.475 0.178 . . . . 0.0 111.421 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 68.6 Cg_exo -50.8 -24.87 14.2 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.461 2.107 . . . . 0.0 112.359 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.66 -31.86 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -50.02 -35.71 25.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.957 0.408 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -53.77 -48.86 69.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.859 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -18.42 62.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.771 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 66' ' ' ILE . 35.7 mm -74.47 -38.35 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.475 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.614 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -57.32 -53.64 63.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.29 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.621 ' CG ' HG11 ' A' ' 5' ' ' VAL . 82.7 Cg_exo -40.77 -51.41 3.63 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.883 2.389 . . . . 0.0 112.814 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.92 -36.89 84.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.173 0.511 . . . . 0.0 110.211 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.747 HD12 HG22 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -67.23 121.54 78.94 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.761 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.0 Cg_endo -48.59 157.75 1.35 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -49.82 -68.47 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.414 -179.321 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -44.93 -45.66 10.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 111.218 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 21.5 m170 -66.46 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.534 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.55 85.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.82 -52.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.647 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -38.1 89.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.786 ' O ' HG23 ' A' ' 78' ' ' THR . 27.4 t80 -54.75 -39.21 68.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.6 -33.38 66.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.378 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.63 -29.3 69.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mt -88.54 -42.22 12.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 74' ' ' TYR . 34.8 p . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.807 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.648 HG11 ' CG ' ' A' ' 64' ' ' PRO . 10.7 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.787 0.327 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.17 92.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -63.79 -54.67 31.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.96 -30.72 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.7 t80 -62.0 -53.98 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.68 -38.11 86.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -63.77 -48.37 77.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.343 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.699 ' HE3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -69.4 -34.38 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.575 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.043 HG22 HD11 ' A' ' 58' ' ' LEU . 97.7 t -61.07 -50.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -36.73 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -68.77 -44.52 73.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 HD13 ' A' ' 58' ' ' LEU . 2.2 pp -84.87 -22.14 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.601 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.786 HG22 ' H ' ' A' ' 19' ' ' ASN . 22.4 mt -111.37 -81.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 0.0 111.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 72.57 1.42 3.98 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.716 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.786 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.7 m120 -71.73 -19.78 61.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.669 0.271 . . . . 0.0 111.28 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.31 -61.91 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 111.065 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.25 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HB2' HG21 ' A' ' 17' ' ' ILE . 5.0 mm-40 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HA ' HD21 ' A' ' 26' ' ' LEU . 4.6 mtmp? -63.6 -43.42 96.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -36.34 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 110.015 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.56 -57.08 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.314 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 23' ' ' LYS . 3.0 pp -59.56 -28.9 67.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -69.19 -37.32 78.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -43.17 76.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.751 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.862 HG12 HD12 ' A' ' 42' ' ' LEU . 38.8 t -60.74 -43.21 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.37 -51.67 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -37.51 75.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mtp -80.16 -30.71 38.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.638 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.673 ' CG ' HD13 ' A' ' 42' ' ' LEU . 29.7 t80 -62.27 -35.79 80.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -73.17 -39.44 65.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -74.81 -46.34 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -78.78 -39.77 35.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 mtp 65.68 46.31 2.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' HB3' HG23 ' A' ' 41' ' ' VAL . 7.9 m-20 -118.09 102.48 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.3 t -63.72 -39.55 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.29 91.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 38' ' ' ASP . 30.8 t -71.52 -36.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.9 HD21 HD11 ' A' ' 66' ' ' ILE . 8.3 tp -62.14 -50.83 70.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 39' ' ' VAL . 32.1 t -56.62 -44.25 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.91 -56.06 26.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.788 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.675 ' HA ' HD12 ' A' ' 48' ' ' LEU . 59.7 m-20 -58.3 -55.54 33.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.099 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.662 HD23 ' CD1' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -53.04 -26.8 16.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' ASN . 16.1 tttm -73.83 -50.38 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.5 mt -57.35 -33.19 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -89.04 -45.35 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.353 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.662 ' CD1' HD23 ' A' ' 46' ' ' LEU . 30.6 mt -88.39 14.3 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.506 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.5 p-10 -55.49 -39.06 69.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 114.07 7.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -42.11 -30.55 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.948 2.432 . . . . 0.0 112.755 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -30.99 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 50' ' ' ILE . 17.2 mtt85 -88.67 -3.0 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.654 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 16.0 mt -53.39 -49.13 89.96 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 120.456 0.169 . . . . 0.0 111.341 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 52.9 Cg_exo -54.76 -24.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.344 2.029 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.043 HD11 HG22 ' A' ' 13' ' ' VAL . 15.3 tp -58.26 -34.56 70.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -50.04 -37.94 35.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 21.2 t70 -53.76 -45.18 70.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.722 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.7 -26.56 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.415 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.649 HG22 HD12 ' A' ' 66' ' ' ILE . 34.4 mm -67.13 -34.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.225 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 4.2 mtm180 -57.24 -59.47 12.67 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CG ' HG11 ' A' ' 5' ' ' VAL . 65.1 Cg_exo -38.36 -48.41 2.43 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.305 2.67 . . . . 0.0 112.935 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -41.54 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.187 0.517 . . . . 0.0 110.119 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.9 HD11 HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -62.68 141.36 97.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.601 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.09 157.48 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.617 2.211 . . . . 0.0 112.729 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -72.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.62 54.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CB ' HG23 ' A' ' 66' ' ' ILE . 16.8 m170 -62.7 -36.63 83.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -60.18 -45.27 93.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.059 0.457 . . . . 0.0 110.423 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.4 t -58.93 -53.27 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.685 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -63.18 -37.99 89.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.3 t80 -54.06 -39.66 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.117 0.484 . . . . 0.0 109.744 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.69 -34.24 67.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.283 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.61 -29.87 70.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -88.36 -28.45 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.866 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.798 HG11 ' CB ' ' A' ' 64' ' ' PRO . 13.6 t . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.712 0.291 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.38 80.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.203 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -50.56 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.23 -35.82 76.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 13' ' ' VAL . 24.2 t80 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -46.5 88.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -65.61 -41.81 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.654 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.701 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.23 -58.91 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 9' ' ' PHE . 33.1 t -53.04 -41.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.412 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.78 -40.04 72.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.87 -38.07 79.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.701 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -82.06 -56.7 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 19' ' ' ASN . 29.5 mm -68.31 -67.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 75.92 1.36 3.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.551 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.692 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 t-20 -111.94 171.47 7.48 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.39 -36.87 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.03 16.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -59.56 -39.27 83.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HG2' HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -67.52 -30.65 70.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.87 -31.95 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.356 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.875 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -69.53 -49.4 54.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.586 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.4 pp -66.31 -34.84 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.796 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.0 -37.15 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -70.27 -36.54 74.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 25' ' ' TYR . 15.6 t -62.72 -49.3 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 62' ' ' ILE . 11.5 mt -62.47 -43.95 97.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -36.19 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 36' ' ' THR . 10.8 mmt -79.32 -35.78 40.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.781 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.597 ' HH ' ' CG ' ' A' ' 70' ' ' HIS . 50.6 t80 -58.85 -36.29 74.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -61.51 -53.6 54.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -74.76 -54.48 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 32' ' ' MET . 22.2 p -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.072 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.94 60.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -137.56 108.64 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.2 t -65.42 -39.28 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.88 83.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.46 -36.39 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD21 HD11 ' A' ' 66' ' ' ILE . 31.9 tp -66.98 -52.09 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.654 HG22 ' CE1' ' A' ' 74' ' ' TYR . 31.9 t -65.84 -46.36 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.35 -52.13 53.48 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.645 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.772 ' HA ' HD12 ' A' ' 48' ' ' LEU . 3.7 t0 -63.4 -48.12 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 111.001 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.607 HD13 ' OH ' ' A' ' 74' ' ' TYR . 3.4 mt -56.95 -34.38 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -42.46 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 45' ' ' ASP . 13.9 mt -56.47 -53.09 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.983 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -65.75 -45.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.215 0.531 . . . . 0.0 110.566 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' A' ' 55' ' ' ARG . 81.2 mt -68.05 -86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.679 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.533 ' N ' HG22 ' A' ' 50' ' ' ILE . 1.1 m-80 52.51 33.93 14.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.62 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.635 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.3 mt-10 -148.27 121.6 4.7 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.967 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' HD12 ' A' ' 56' ' ' LEU . 56.0 Cg_exo -51.77 -25.07 19.78 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.501 2.134 . . . . 0.0 112.307 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.4 p -67.77 -29.13 68.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.842 ' HB2' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -92.05 -17.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.322 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 53' ' ' PRO . 8.6 mt -43.08 -50.39 14.23 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.501 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 68.1 Cg_exo -50.78 -25.15 14.72 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.436 2.09 . . . . 0.0 112.312 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 62' ' ' ILE . 6.0 tt -56.28 -43.79 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.636 ' HA ' HD12 ' A' ' 62' ' ' ILE . 43.3 m-85 -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 t70 -53.34 -51.7 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -21.13 61.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 58' ' ' LEU . 51.5 mt -72.12 -30.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.437 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -56.95 18.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.545 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.798 ' CB ' HG11 ' A' ' 5' ' ' VAL . 67.9 Cg_exo -40.64 -53.19 2.87 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.188 2.592 . . . . 0.0 113.399 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.361 0.601 . . . . 0.0 110.045 179.351 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 HD21 ' A' ' 42' ' ' LEU . 3.3 mt -66.76 140.28 96.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.85 155.05 0.6 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.731 2.287 . . . . 0.0 112.759 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -74.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -46.89 -36.94 8.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.222 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CG ' ' HH ' ' A' ' 33' ' ' TYR . 29.4 m170 -64.9 -38.51 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.87 -45.65 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.05 0.452 . . . . 0.0 110.643 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.93 -53.2 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.016 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -38.6 91.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.654 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.6 t80 -53.89 -40.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.15 0.5 . . . . 0.0 109.753 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.79 -32.78 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.536 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -31.54 72.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.04 -33.9 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.65 HG11 ' HG2' ' A' ' 64' ' ' PRO . 6.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.712 0.291 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.02 -47.58 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.34 33.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.404 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.14 -32.26 69.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.403 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.676 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 14.1 t80 -60.21 -53.05 62.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -57.33 -43.25 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -66.97 -41.96 85.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.836 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -61.8 -58.87 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.988 HG22 HD21 ' A' ' 58' ' ' LEU . 26.7 t -52.69 -43.74 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.04 -41.54 99.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -50.77 47.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.836 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -66.46 -66.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.76 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.757 HG22 ' H ' ' A' ' 19' ' ' ASN . 30.7 mt -71.14 -70.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.163 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 73.93 1.26 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.727 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.757 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.2 t30 -97.99 124.09 42.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.832 0.348 . . . . 0.0 110.955 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -60.23 -39.45 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.78 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.012 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.88 -38.5 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 26' ' ' LEU . 13.3 mtmt -65.26 -33.98 77.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.8 -31.67 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.798 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.3 t80 -68.93 -48.14 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.7 pp -65.81 -37.01 85.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -34.37 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.2 -40.4 78.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.967 HG12 HD12 ' A' ' 42' ' ' LEU . 21.5 t -61.89 -49.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.747 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.82 -37.79 83.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -64.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -31.27 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.598 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CG ' HD13 ' A' ' 42' ' ' LEU . 21.1 t80 -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.682 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -39.57 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -74.8 -45.76 41.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.2 p -78.64 -37.59 41.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.1 mmt 62.06 54.57 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.414 ' HB3' HG23 ' A' ' 41' ' ' VAL . 1.9 t0 -128.06 99.44 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.542 HG22 ' OH ' ' A' ' 33' ' ' TYR . 21.3 t -59.9 -30.71 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.64 93.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 38' ' ' ASP . 22.5 t -73.51 -36.39 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.967 HD12 HG12 ' A' ' 29' ' ' VAL . 8.8 tp -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -55.79 -44.68 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.088 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.447 ' N ' ' CG1' ' A' ' 43' ' ' VAL . . . -58.01 -59.01 11.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.579 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.517 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -61.18 -42.49 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.26 -33.09 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -73.98 -50.55 19.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.721 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 45' ' ' ASP . 22.6 mt -49.97 -38.39 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.408 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.43 -46.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.474 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 50' ' ' ILE . 8.6 mt -89.95 24.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.598 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LYS . 16.5 p30 -57.01 -43.09 81.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.811 0.339 . . . . 0.0 111.037 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.9 116.59 2.42 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.446 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.601 ' HA ' HD12 ' A' ' 56' ' ' LEU . 80.8 Cg_exo -44.23 -50.31 7.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.906 2.404 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -19.79 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.052 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.757 HH21 HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -86.44 -19.79 29.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.265 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 53' ' ' PRO . 14.9 mt -51.26 -48.97 84.35 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.566 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.485 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 83.4 Cg_exo -45.17 -28.5 3.52 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.547 2.164 . . . . 0.0 112.653 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.988 HD21 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -60.39 -29.9 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -50.16 -31.94 14.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 5.1 t70 -53.74 -47.62 70.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -72.37 -19.55 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD13 ' HE2' ' A' ' 9' ' ' PHE . 31.3 mm -73.09 -43.25 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.66 -52.77 71.04 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.4 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HG2' HG11 ' A' ' 5' ' ' VAL . 75.1 Cg_exo -39.46 -52.2 2.54 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.972 2.448 . . . . 0.0 113.017 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.64 -30.67 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.488 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.92 152.48 95.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 50.6 Cg_exo -53.35 157.68 8.64 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.09 -72.17 0.05 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -30.21 49.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 10.2 m170 -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.88 -50.53 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.046 0.451 . . . . 0.0 110.569 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 t -58.95 -48.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.88 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -67.14 -37.19 83.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -53.93 -43.69 70.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.173 0.511 . . . . 0.0 109.767 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.75 -31.17 64.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.484 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -65.58 -32.75 74.5 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.01 -35.51 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.9 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.907 HG11 ' CB ' ' A' ' 64' ' ' PRO . 2.7 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.693 0.283 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.84 70.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -54.81 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.427 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -59.3 -33.09 70.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.461 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.19 -53.81 53.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -39.49 73.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -35.39 70.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.692 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.28 -58.71 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.034 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.647 HG13 HD11 ' A' ' 58' ' ' LEU . 46.9 t -54.43 -46.22 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -57.92 -44.34 86.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.92 -36.5 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.692 HD11 ' HD3' ' A' ' 12' ' ' LYS . 26.7 mt -78.93 -73.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 19' ' ' ASN . 28.8 mt -73.27 -66.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.206 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 76.41 1.36 3.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.578 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.645 ' H ' HG22 ' A' ' 17' ' ' ILE . 21.9 m-20 -92.05 118.63 30.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.836 0.35 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -59.38 -35.18 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.96 76.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -63.72 -34.14 77.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.804 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -69.82 -33.7 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -72.78 -33.69 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -69.68 -50.08 47.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.548 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 26' ' ' LEU . 3.1 pp -64.52 -31.99 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.4 m-85 -69.92 -37.68 75.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -42.59 89.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 HD12 ' A' ' 42' ' ' LEU . 29.2 t -62.89 -44.11 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.64 -45.42 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -55.48 -38.39 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mtp -81.24 -28.36 34.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.622 ' CG ' HD13 ' A' ' 42' ' ' LEU . 66.5 t80 -66.75 -27.0 67.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -52.46 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.403 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -36.06 62.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.59 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.3 p -78.54 -44.53 24.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.351 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt 64.39 43.07 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -111.13 98.1 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.6 t -62.25 -40.58 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.85 75.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.005 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.48 -36.39 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' A' ' 33' ' ' TYR . 12.5 tp -62.02 -50.58 71.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.3 t -57.24 -39.58 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.287 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.84 -59.14 10.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -63.36 -30.7 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD13 ' OH ' ' A' ' 74' ' ' TYR . 5.5 mt -58.51 -50.31 74.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -69.69 -35.43 75.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 45' ' ' ASP . 62.0 mt -56.02 -53.11 60.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -65.91 -46.65 87.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.109 0.481 . . . . 0.0 110.566 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.868 HG23 ' HB2' ' A' ' 55' ' ' ARG . 34.3 mm -62.92 -86.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.611 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.16 18.15 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.738 ' H ' HG22 ' A' ' 50' ' ' ILE . 4.0 mm-40 -141.43 119.43 7.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.643 0.258 . . . . 0.0 111.022 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.09 -23.87 13.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.589 2.192 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -67.54 -27.3 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.868 ' HB2' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -92.08 -12.99 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.488 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 8.0 mt -44.37 -50.71 21.81 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 51.6 Cg_exo -53.68 -23.53 26.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.232 1.955 . . . . 0.0 112.309 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.647 HD11 HG13 ' A' ' 13' ' ' VAL . 3.6 tt -60.72 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.577 ' HA ' HD12 ' A' ' 62' ' ' ILE . 32.2 m-85 -50.3 -33.93 21.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 m-20 -53.78 -47.89 70.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -18.81 61.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.838 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 59' ' ' PHE . 42.6 mt -73.74 -42.98 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.46 -52.07 76.98 Favored Pre-proline 0 N--CA 1.468 0.457 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.814 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.907 ' CB ' HG11 ' A' ' 5' ' ' VAL . 68.5 Cg_exo -40.46 -53.53 2.64 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.085 2.524 . . . . 0.0 114.252 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -66.05 -21.44 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.285 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -77.74 151.18 79.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 66' ' ' ILE . 88.4 Cg_exo -48.55 157.39 1.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.86 2.373 . . . . 0.0 112.764 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.59 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.023 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -46.22 -33.45 3.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.449 ' CG ' ' HH ' ' A' ' 33' ' ' TYR . 28.5 m170 -68.21 -35.91 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' CG ' HG22 ' A' ' 66' ' ' ILE . 4.8 mt-30 -60.66 -47.46 86.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.33 -54.76 29.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.3 -37.76 86.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.493 ' OH ' HD13 ' A' ' 46' ' ' LEU . 21.1 t80 -54.01 -41.2 67.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.184 0.516 . . . . 0.0 109.719 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.68 -31.8 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.487 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 39' ' ' VAL . 8.4 mt -90.41 -31.34 16.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.806 HG21 ' HB3' ' A' ' 64' ' ' PRO . 6.5 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.822 0.344 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.23 80.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -67.86 -45.83 73.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.686 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.7 -30.22 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.802 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.2 t80 -65.67 -52.56 50.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.72 -42.14 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -69.5 -47.3 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.547 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.56 -33.55 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 0.0 111.182 -179.492 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 9' ' ' PHE . 61.1 t -65.87 -50.51 69.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -34.15 73.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.74 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -73.15 -66.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.637 HG22 ' H ' ' A' ' 19' ' ' ASN . 20.7 mt -73.76 -70.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 74.63 1.26 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.759 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -97.76 123.72 41.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -62.99 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -43.34 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -65.71 -39.93 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -67.12 -35.35 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.679 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.41 -35.33 77.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.239 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -67.21 -52.39 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.586 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 27' ' ' TYR . 4.3 pp -62.52 -30.2 71.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.623 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.771 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -67.27 -41.43 85.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 110.506 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.551 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 25' ' ' TYR . 21.8 t -60.18 -46.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.51 -45.01 89.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -58.37 -38.83 78.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.571 ' O ' HG23 ' A' ' 36' ' ' THR . 4.6 mtp -79.19 -31.75 43.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.761 ' CE2' HD22 ' A' ' 42' ' ' LEU . 28.2 t80 -64.09 -30.1 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.817 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.14 -47.69 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.78 -37.37 62.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.0 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 32' ' ' MET . 68.4 p -78.64 -40.51 34.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.13 30.49 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.697 ' HB3' HG23 ' A' ' 41' ' ' VAL . 42.8 m-20 -103.27 99.72 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 43' ' ' VAL . 14.2 t -59.38 -40.02 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.06 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.697 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.4 t -73.5 -36.38 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD22 ' CE2' ' A' ' 33' ' ' TYR . 28.7 tp -67.34 -45.96 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 39' ' ' VAL . 24.0 t -60.7 -48.32 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.25 -56.24 26.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.598 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.654 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -60.17 -29.95 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.335 . . . . 0.0 111.029 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.628 HD12 ' HG ' ' A' ' 42' ' ' LEU . 2.7 mt -66.95 -37.55 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -72.45 -44.56 62.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 45' ' ' ASP . 5.4 mt -56.02 -53.12 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.231 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -61.11 -46.25 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.164 0.507 . . . . 0.0 110.44 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.911 HG23 ' HB2' ' A' ' 55' ' ' ARG . 17.6 mm -68.35 -88.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.421 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 50' ' ' ILE . 7.0 m-20 57.54 21.88 7.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.631 ' H ' HG22 ' A' ' 50' ' ' ILE . 16.2 mm-40 -147.62 124.2 5.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 111.124 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 76.2 Cg_exo -49.44 -24.73 9.32 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.727 2.285 . . . . 0.0 112.8 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -61.62 -33.27 73.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.911 ' HB2' HG23 ' A' ' 50' ' ' ILE . 13.5 mtt85 -92.37 -8.3 45.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.007 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.6 mt -45.33 -60.15 3.59 Favored Pre-proline 0 CA--C 1.531 0.223 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 9.2 Cg_endo -52.65 -23.59 20.37 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.486 2.124 . . . . 0.0 112.403 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 62' ' ' ILE . 1.6 tt -57.48 -35.92 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -52.75 -35.03 55.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.516 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.5 m-20 -53.9 -47.32 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.127 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' CE ' ' A' ' 12' ' ' LYS . . . -72.04 -20.79 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.747 ' HA ' HD21 ' A' ' 65' ' ' LEU . 35.1 mt -74.53 -38.58 46.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -57.88 -55.11 48.45 Favored Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.569 -179.28 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.806 ' HB3' HG21 ' A' ' 5' ' ' VAL . 45.4 Cg_exo -38.72 -53.6 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.323 2.682 . . . . 0.0 114.009 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.747 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -66.73 -34.06 77.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.133 0.492 . . . . 0.0 110.7 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.655 HD11 HD21 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.51 144.63 92.19 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.005 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.64 157.56 2.34 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.769 2.313 . . . . 0.0 112.796 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -74.13 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -33.93 23.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.466 ' CB ' HG23 ' A' ' 66' ' ' ILE . 17.1 m170 -64.72 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.464 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' A' ' 66' ' ' ILE . 30.6 mt-30 -59.8 -43.18 94.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.409 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.41 -55.5 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -32.64 74.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.391 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.19 -43.17 74.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.212 0.529 . . . . 0.0 109.781 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.83 -33.93 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.426 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.27 -32.0 72.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 43' ' ' VAL . 3.3 mt -92.8 -35.55 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 64' ' ' PRO . 11.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.9 75.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.8 -54.79 40.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.695 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.82 -32.81 73.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.888 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.7 t80 -60.1 -52.27 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -60.77 -37.33 81.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.739 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.37 -43.96 84.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.203 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 16' ' ' LEU . 42.9 mttt -67.09 -50.74 60.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 9' ' ' PHE . 23.8 t -52.32 -48.76 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.31 -30.69 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.813 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -68.93 -50.88 45.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.857 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -82.41 -39.82 22.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.518 -179.505 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.84 HD12 HG13 ' A' ' 13' ' ' VAL . 8.3 mt -89.99 -74.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 71.89 1.49 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.883 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.553 ' H ' HG22 ' A' ' 17' ' ' ILE . 43.2 m-20 -97.82 152.71 18.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.53 -37.85 24.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.08 75.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -35.06 79.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.716 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HA ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.86 -38.53 76.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.756 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -33.67 75.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.655 ' HB3' HG21 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -67.05 -52.14 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.1 pp -62.28 -32.09 72.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.72 78.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -38.39 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.696 HG12 HD12 ' A' ' 42' ' ' LEU . 21.4 t -63.17 -53.28 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.67 -46.19 91.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.673 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.9 -36.65 70.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.3 mtp -79.85 -32.34 40.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.546 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.646 ' HB2' HD13 ' A' ' 42' ' ' LEU . 70.9 t80 -62.2 -31.2 71.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -72.14 -45.07 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.62 -42.8 57.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -77.4 -45.04 27.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mmt 61.57 58.6 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' HB3' ' A' ' 40' ' ' ALA . 9.9 t70 -141.3 105.9 4.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.0 t -60.45 -29.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . . . -59.69 -52.53 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG23 ' OD2' ' A' ' 38' ' ' ASP . 21.5 t -66.31 -36.41 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.696 HD12 HG12 ' A' ' 29' ' ' VAL . 13.3 tp -58.27 -41.71 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.5 t -60.39 -44.23 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.56 -57.02 21.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.862 ' HA ' HD12 ' A' ' 48' ' ' LEU . 5.5 m-20 -62.8 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 62' ' ' ILE . 13.6 mt -55.09 -33.98 63.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.55 -50.3 22.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.862 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.7 mt -50.03 -37.59 33.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.283 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.655 HG21 ' HB3' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -92.13 -45.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.694 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 50' ' ' ILE . 13.3 mt -90.66 24.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.681 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.0 p30 -62.29 -46.86 86.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -44.03 119.03 3.19 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HA ' HD12 ' A' ' 56' ' ' LEU . 88.5 Cg_exo -42.96 -52.31 4.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.916 2.411 . . . . 0.0 112.594 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.5 p -64.77 -21.41 66.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.925 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.585 ' NH1' HG22 ' A' ' 49' ' ' VAL . 1.3 ttt180 -89.13 -15.72 33.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.539 ' HA ' HG22 ' A' ' 50' ' ' ILE . 34.7 mt -52.03 -46.44 93.02 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.7 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -45.24 -25.65 2.05 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.497 2.131 . . . . 0.0 112.888 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -53.16 -32.28 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.248 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.37 -33.76 21.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 t0 -53.64 -49.78 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.772 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.65 -17.95 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 46' ' ' LEU . 25.3 mm -74.54 -40.09 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.595 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 6.6 mtt85 -57.45 -52.67 72.53 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.614 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.668 ' CG ' HG11 ' A' ' 5' ' ' VAL . 86.9 Cg_exo -41.48 -52.6 3.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.94 2.427 . . . . 0.0 113.159 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 61' ' ' ALA . 2.3 mp -63.82 -23.12 67.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.323 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.512 HG22 ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -75.97 143.7 74.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.078 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 66' ' ' ILE . 72.1 Cg_exo -50.1 157.87 2.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.681 2.254 . . . . 0.0 112.486 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -65.87 0.49 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -58.25 -32.67 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 11.3 m170 -63.63 -30.12 71.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.975 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 66' ' ' ILE . 23.4 mt-30 -60.77 -50.14 74.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.092 0.472 . . . . 0.0 110.406 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.55 -50.47 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.581 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.97 -32.24 73.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.424 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.714 ' O ' HG23 ' A' ' 78' ' ' THR . 58.3 t80 -58.86 -40.11 83.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.63 -32.3 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.287 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -65.07 -29.74 70.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.439 HD12 ' CG1' ' A' ' 39' ' ' VAL . 87.1 mt -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 74' ' ' TYR . 52.5 p . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptt? . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.706 0.288 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -72.74 -177.62 2.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.96 -23.81 12.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.27 -58.15 0.54 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 ' HG2' ' A' ' 64' ' ' PRO . 12.9 t -56.36 -26.01 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.45 -47.49 69.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.318 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -61.69 -54.74 38.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.676 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.46 -32.84 69.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.503 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.79 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.5 t80 -61.1 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.701 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.52 94.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -65.73 -46.79 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.732 ' HD3' HD11 ' A' ' 16' ' ' LEU . 1.5 tttm -57.44 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 9' ' ' PHE . 21.6 t -52.66 -45.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.28 -43.17 99.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.138 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -50.99 45.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.732 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -65.59 -53.66 38.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.32 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.765 HG22 ' H ' ' A' ' 19' ' ' ASN . 28.3 mm -71.72 -70.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 73.77 1.37 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.619 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.765 ' H ' HG22 ' A' ' 17' ' ' ILE . 23.8 m-80 -109.0 149.29 29.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.26 -46.44 16.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.64 82.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.56 -43.98 93.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.691 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -34.39 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.565 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -62.55 -46.05 90.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -66.26 -46.69 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 110.584 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.701 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -42.44 71.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.8 HG12 HD12 ' A' ' 42' ' ' LEU . 29.6 t -59.17 -43.4 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.76 -44.4 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.672 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -36.33 70.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.618 ' O ' HG23 ' A' ' 36' ' ' THR . 3.8 mmt -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.717 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.691 ' OH ' HG22 ' A' ' 39' ' ' VAL . 36.6 t80 -59.23 -30.08 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -68.15 -52.67 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -74.69 -39.85 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 32' ' ' MET . 39.8 p -74.15 -42.78 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.026 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmt 61.05 39.65 16.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -115.09 102.21 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 43' ' ' VAL . 15.2 t -66.44 -30.12 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.12 -36.3 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD12 HG12 ' A' ' 29' ' ' VAL . 2.7 tp -59.99 -50.64 72.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -62.11 -40.03 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.36 -61.4 7.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.581 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -57.45 -46.58 83.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 42' ' ' LEU . 18.1 mt -55.87 -29.8 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 15.8 mttt -74.17 -49.88 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.684 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.66 -36.56 62.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.337 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.3 p -92.29 -47.14 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.57 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.826 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.5 mt -90.82 22.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.689 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.1 m-20 -59.12 -39.06 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.361 . . . . 0.0 110.715 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.26 114.48 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.016 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.89 -29.72 2.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.789 2.326 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -67.57 -28.59 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.826 ' HB3' HG23 ' A' ' 50' ' ' ILE . 56.6 mtt-85 -88.49 -12.49 42.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.515 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 13.6 mt -49.69 -49.14 74.65 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 76.4 Cg_exo -49.35 -25.89 10.84 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.469 2.113 . . . . 0.0 112.458 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 62' ' ' ILE . 1.2 tt -58.17 -35.0 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -50.15 -30.26 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 7.2 m-20 -53.62 -51.44 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.369 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.54 -23.35 61.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.739 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 66' ' ' ILE . 34.3 mm -68.5 -36.59 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 111.474 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 13.2 mtm-85 -57.44 -59.03 14.16 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.385 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.674 ' HG2' HG11 ' A' ' 5' ' ' VAL . 72.5 Cg_exo -39.64 -50.72 3.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.175 2.584 . . . . 0.0 113.055 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.75 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 110.736 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.445 HG23 ' CB ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -74.16 145.53 83.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 73.8 Cg_exo -51.42 157.4 4.84 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.836 2.358 . . . . 0.0 112.776 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -32.19 6.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CB ' HG23 ' A' ' 66' ' ' ILE . 14.1 m170 -64.82 -35.44 81.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.661 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.74 -49.85 76.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.347 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.52 -51.8 60.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.676 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' OH ' HD13 ' A' ' 46' ' ' LEU . 2.2 t80 -56.39 -42.64 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 109.642 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.637 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -65.61 -32.63 74.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.85 -49.57 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 p -66.34 111.39 6.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.84 -168.16 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.427 2.085 . . . . 0.0 112.384 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.78 0.324 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -138.55 169.31 18.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -92.93 -170.19 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -38.17 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.067 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.713 HG11 ' HG2' ' A' ' 64' ' ' PRO . 21.2 t -74.92 -29.83 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -65.23 -53.21 47.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.614 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.53 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.611 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.786 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.2 t80 -62.95 -53.78 48.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -58.64 -42.95 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -53.35 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.301 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 12.8 ptmm? -59.02 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.414 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 9' ' ' PHE . 97.8 t -55.69 -48.54 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.51 -42.03 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -68.79 -37.03 79.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.671 HD13 HD12 ' A' ' 58' ' ' LEU . 2.0 mt -79.89 -68.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.078 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 19' ' ' ASN . 25.9 mt -73.44 -65.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.203 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 76.31 1.37 3.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.693 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.6 ' H ' HG22 ' A' ' 17' ' ' ILE . 94.7 m-20 -99.63 128.0 45.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.87 -34.25 73.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.75 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB2' HG21 ' A' ' 17' ' ' ILE . 4.8 mm-40 -64.34 -37.36 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.64 -39.92 84.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.4 -31.41 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.627 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -72.1 -46.54 56.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.77 179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 27' ' ' TYR . 4.3 pp -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.805 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -72.32 -37.68 68.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -46.92 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.612 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.919 HG12 HD12 ' A' ' 42' ' ' LEU . 25.4 t -63.42 -38.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.92 -39.61 69.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -46.81 83.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 36' ' ' THR . 13.5 mtp -74.96 -29.28 60.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.747 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.77 ' HB2' HD13 ' A' ' 42' ' ' LEU . 45.0 t80 -60.95 -37.28 81.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -47.51 71.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -51.94 12.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 32' ' ' MET . 21.9 p -67.14 -40.67 86.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.243 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.71 67.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 0.0 110.689 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HB3' HG23 ' A' ' 41' ' ' VAL . 5.1 m-20 -137.13 98.04 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.897 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.6 t -64.66 -32.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.09 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 38' ' ' ASP . 29.8 t -73.5 -36.97 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.919 HD12 HG12 ' A' ' 29' ' ' VAL . 13.2 tp -63.07 -46.54 86.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.011 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 39' ' ' VAL . 35.8 t -57.43 -39.77 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.0 -52.79 45.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.673 ' HB2' HG11 ' A' ' 29' ' ' VAL . 1.2 m-20 -62.63 -50.97 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.663 HD12 ' HG ' ' A' ' 42' ' ' LEU . 8.8 mt -57.16 -29.16 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -74.13 -52.51 12.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 45' ' ' ASP . 3.2 mt -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.259 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -90.17 -46.94 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.434 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.6 mt -92.79 23.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LYS . 10.4 p30 -58.2 -40.74 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.5 113.5 3.68 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 97.0 Cg_exo -41.82 -30.9 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.945 2.43 . . . . 0.0 112.684 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -67.66 -38.32 83.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.809 ' HB3' HG23 ' A' ' 50' ' ' ILE . 34.9 mtt-85 -76.98 -5.94 50.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.443 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 37.4 mt -51.7 -58.02 12.51 Favored Pre-proline 0 CA--C 1.53 0.202 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 2.1 Cg_endo -45.52 -27.11 3.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.759 2.306 . . . . 0.0 112.526 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.671 HD12 HD13 ' A' ' 16' ' ' LEU . 3.3 tp -56.99 -31.73 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.058 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -51.64 -30.35 21.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -53.73 -48.96 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.111 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -71.65 -21.69 61.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.453 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.644 HG22 HD12 ' A' ' 66' ' ' ILE . 25.1 mm -71.14 -35.25 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -58.37 18.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.713 ' HG2' HG11 ' A' ' 5' ' ' VAL . 64.2 Cg_exo -39.68 -48.75 3.47 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.22 2.613 . . . . 0.0 113.026 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 61' ' ' ALA . 1.5 mp -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.439 0.638 . . . . 0.0 109.818 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 62' ' ' ILE . 2.5 mt -66.56 138.57 95.65 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.663 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 52.3 Cg_exo -52.66 157.54 7.29 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.623 2.215 . . . . 0.0 112.636 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -74.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.07 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -48.93 -34.49 12.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.026 0.441 . . . . 0.0 110.569 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 12.7 m170 -66.08 -38.06 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -60.49 -44.38 96.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.369 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -59.02 -55.69 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -37.48 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.618 ' OH ' HD13 ' A' ' 46' ' ' LEU . 3.0 t80 -54.03 -40.94 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.67 -32.5 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.412 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -30.11 71.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -90.12 -37.33 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 11.2 p -83.99 158.06 62.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 30.4 Cg_endo -63.61 139.46 69.97 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.232 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.812 0.339 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -96.7 128.81 44.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -79.68 177.37 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.22 -49.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.756 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 64' ' ' PRO . 12.1 t -61.86 -26.03 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.087 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -40.36 63.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -61.32 -54.71 40.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.486 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.885 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.4 t80 -66.01 -53.09 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.772 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.94 -41.82 75.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -62.62 -51.78 65.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.312 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.564 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.7 ptpt -64.99 -43.01 93.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.463 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 9' ' ' PHE . 85.3 t -53.1 -51.7 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.22 -29.66 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.93 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 58' ' ' LEU . 1.2 pp -82.01 -31.91 30.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.341 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.788 HG22 ' H ' ' A' ' 19' ' ' ASN . 26.0 mt -95.56 -80.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 1.44 3.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.754 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.788 ' H ' HG22 ' A' ' 17' ' ' ILE . 16.2 m-20 -71.72 -17.36 62.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.593 0.235 . . . . 0.0 111.271 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.13 -61.85 0.48 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.38 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.33 73.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.11 -35.61 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -67.26 -35.49 79.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.63 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.74 -33.44 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.287 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -52.52 34.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 26' ' ' LEU . 1.9 pp -61.13 -34.59 75.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.664 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.68 -35.27 74.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.58 -42.36 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.534 HG12 HD12 ' A' ' 42' ' ' LEU . 42.9 t -64.82 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.29 -46.79 82.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -47.03 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.726 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 36' ' ' THR . 4.0 mmm -76.19 -29.71 57.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.624 ' CG ' HD13 ' A' ' 42' ' ' LEU . 33.1 t80 -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.582 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -72.89 -41.01 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -74.88 -44.0 51.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 32' ' ' MET . 27.3 p -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt 61.53 57.32 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.535 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -128.35 96.75 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.6 t -61.05 -31.32 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.79 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.7 t -73.48 -36.63 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 33' ' ' TYR . 3.6 tp -59.59 -46.85 87.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 39' ' ' VAL . 20.0 t -60.92 -40.4 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.55 -59.23 11.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.62 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.733 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.2 t0 -59.03 -50.16 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.522 HD12 ' HG ' ' A' ' 42' ' ' LEU . 32.9 mt -55.94 -29.07 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -72.7 -47.54 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.785 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.5 mt -57.17 -37.9 72.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.28 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -86.58 -45.27 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 50' ' ' ILE . 30.4 mt -86.97 13.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.699 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.9 p-10 -53.16 -42.33 66.03 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.8 115.21 8.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 89.1 Cg_exo -42.72 -31.38 2.04 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.938 2.425 . . . . 0.0 112.635 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 -30.38 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.748 ' HB3' HD12 ' A' ' 58' ' ' LEU . 15.4 mtt85 -87.28 -8.92 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.492 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.467 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 20.6 mt -46.42 -48.27 46.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.0 Cg_exo -48.57 -25.1 7.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.748 HD12 ' HB3' ' A' ' 55' ' ' ARG . 20.4 mt -56.68 -42.12 78.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -49.86 -38.55 35.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 111.193 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 m-20 -53.57 -44.94 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.484 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . . . -71.91 -26.57 62.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.585 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' HA ' HD21 ' A' ' 65' ' ' LEU . 28.3 mm -66.22 -38.11 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.399 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.476 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -57.39 -59.8 11.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.317 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.636 ' HB3' HG21 ' A' ' 5' ' ' VAL . 81.5 Cg_exo -46.12 -52.9 6.49 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.833 2.355 . . . . 0.0 112.986 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 62' ' ' ILE . 3.6 pp -65.83 -14.62 61.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.582 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.435 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -93.61 142.61 25.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.712 0.292 . . . . 0.0 111.192 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.7 Cg_endo -46.46 157.48 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.189 2.593 . . . . 0.0 112.922 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -53.39 -68.68 0.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.81 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -45.32 -44.66 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 111.148 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 8.7 m170 -69.45 -27.39 65.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.275 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 29.9 mt-30 -62.17 -54.74 36.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.167 0.508 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.47 -46.09 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.529 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -37.25 86.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.45 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 2.8 t80 -56.42 -38.99 72.32 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.58 -32.48 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -29.82 70.4 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mt -92.92 -45.34 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.4 p -76.87 112.03 19.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.47 102.84 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.399 2.066 . . . . 0.0 112.264 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.02 30.92 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -99.88 77.1 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.05 -47.92 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.822 HG11 ' CG ' ' A' ' 64' ' ' PRO . 11.1 t -70.61 -26.11 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.182 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.51 76.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -47.63 84.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 3.6 mt-10 -62.58 -40.28 96.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.455 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.5 t80 -60.16 -32.7 71.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.567 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -70.64 -52.09 23.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.352 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' CD2' ' HA ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.26 -45.31 80.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.229 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -57.34 -57.98 10.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.103 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 17' ' ' ILE . 97.6 t -52.53 -44.68 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.32 -29.3 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.003 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.97 -50.81 45.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -83.43 -45.08 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.567 -179.516 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.801 HG22 ' H ' ' A' ' 19' ' ' ASN . 18.7 mt -88.19 -73.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 74.39 1.26 3.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.77 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.801 ' H ' HG22 ' A' ' 17' ' ' ILE . 62.5 m-80 -98.36 143.49 28.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.982 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -33.86 29.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -51.21 59.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.74 -34.02 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.63 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 10.5 mtmt -69.62 -35.12 74.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.662 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -72.92 -31.14 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.468 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.7 t80 -70.8 -47.84 57.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.755 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -65.69 -34.21 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -39.05 82.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.71 -41.55 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 25' ' ' TYR . 29.8 t -61.38 -48.67 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -55.13 -38.54 68.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 mtp -83.8 -30.05 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.716 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.709 ' CG ' HD13 ' A' ' 42' ' ' LEU . 27.3 t80 -60.15 -32.04 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.758 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -45.14 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.69 -42.36 58.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.9 p -78.63 -37.77 41.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mtt 62.9 41.07 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -107.49 98.8 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG22 ' OH ' ' A' ' 33' ' ' TYR . 23.6 t -69.21 -36.88 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.194 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.91 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.244 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.47 -36.3 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.709 HD13 ' CG ' ' A' ' 33' ' ' TYR . 7.5 tp -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.164 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -60.37 -39.52 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -55.85 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.731 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' LEU . 8.4 t0 -61.07 -37.74 83.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 111.106 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.762 HD23 HD12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.73 -33.91 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -74.01 -51.61 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.035 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.6 mt -56.4 -33.52 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.1 p -89.52 -46.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.399 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.791 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.3 mt -92.0 20.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.737 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.9 m-20 -55.09 -41.31 71.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.75 113.94 7.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.698 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.425 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 95.9 Cg_exo -41.43 -28.85 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.051 2.501 . . . . 0.0 112.946 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -67.64 -33.94 75.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . 48.8 mtt-85 -82.21 -12.21 58.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.527 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 27.1 mt -45.67 -57.79 7.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -43.58 -27.99 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.803 2.335 . . . . 0.0 112.862 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.692 HD22 HD11 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -55.21 -32.04 61.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -49.94 -36.39 27.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 m-20 -53.77 -46.35 70.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -25.48 62.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.417 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.978 HG22 HD12 ' A' ' 66' ' ' ILE . 34.3 mm -67.53 -36.14 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.369 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 7.6 mtm180 -57.28 -59.82 11.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.655 0.264 . . . . 0.0 111.047 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.822 ' CG ' HG11 ' A' ' 5' ' ' VAL . 75.3 Cg_exo -41.25 -50.57 4.36 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.068 2.512 . . . . 0.0 112.777 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD11 ' CE2' ' A' ' 9' ' ' PHE . 31.1 mt -65.99 -35.23 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 0.0 110.26 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.978 HD12 HG22 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -71.69 125.01 91.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.666 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.9 Cg_endo -48.43 157.46 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.592 2.195 . . . . 0.0 112.419 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.12 -72.25 0.05 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.64 -179.329 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -51.14 6.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 111.43 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 16.4 m170 -65.14 -27.96 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -54.41 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.061 0.458 . . . . 0.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.97 -49.49 81.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.67 -35.07 79.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE1' HG22 ' A' ' 43' ' ' VAL . 29.6 t80 -56.78 -39.85 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.71 -33.25 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.3 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.74 -34.66 78.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.835 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.08 -40.24 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.5 p -77.61 156.11 80.81 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.817 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.14 89.99 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.578 2.186 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.015 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.0 mtm . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.771 0.32 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -104.58 150.62 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.09 174.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -132.15 -43.51 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.794 HG11 ' HG2' ' A' ' 64' ' ' PRO . 13.9 t -55.7 -28.32 23.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.7 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -63.07 -49.23 75.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.74 -31.45 72.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.76 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.3 t80 -60.38 -47.41 86.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -67.84 -41.95 82.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -64.12 -53.28 52.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -59.33 -45.85 90.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.214 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 9' ' ' PHE . 57.4 t -52.77 -51.64 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.786 0.327 . . . . 0.0 110.72 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -62.2 -29.02 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.91 -50.79 46.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.264 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.617 HD12 HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -76.76 -56.87 4.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.23 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 19' ' ' ASN . 20.1 mt -73.29 -70.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 75.2 1.35 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.706 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.77 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.6 m-20 -96.0 137.45 35.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.31 -40.0 45.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.08 78.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.05 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.12 -34.46 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.5 mtmt -71.06 -35.76 72.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.76 -35.96 75.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 29' ' ' VAL . 17.2 t80 -66.38 -50.55 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.4 pp -63.8 -31.48 72.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.728 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -42.81 90.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.2 -37.97 86.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.723 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 25' ' ' TYR . 27.2 t -60.27 -49.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.09 -43.5 98.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.412 ' O ' HG23 ' A' ' 36' ' ' THR . 2.2 mmt -82.71 -30.6 29.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.696 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.535 ' OH ' HG22 ' A' ' 39' ' ' VAL . 35.2 t80 -61.15 -34.03 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -71.79 -44.7 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.77 -44.33 50.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 32' ' ' MET . 43.2 p -77.11 -39.35 49.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.066 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.96 55.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -121.95 96.89 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.2 t -66.35 -38.79 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.167 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.58 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.79 -36.26 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 66' ' ' ILE . 4.8 tp -61.64 -51.63 67.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.4 t -58.83 -42.43 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.312 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.13 -61.36 7.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.618 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.684 ' HA ' HD12 ' A' ' 48' ' ' LEU . 5.2 m-20 -59.51 -49.75 76.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 111.043 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.556 HD12 ' HG ' ' A' ' 42' ' ' LEU . 18.2 mt -56.65 -27.76 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mttp -73.8 -51.46 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 45' ' ' ASP . 1.7 mt -56.99 -32.36 66.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.369 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -90.11 -45.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.324 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 50' ' ' ILE . 29.5 mt -88.46 14.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.525 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.2 p30 -58.58 -38.03 77.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.766 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.2 115.43 9.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -42.72 -30.18 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.839 2.359 . . . . 0.0 112.656 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -67.71 -31.1 70.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.607 HH21 HG23 ' A' ' 17' ' ' ILE . 4.0 mtt85 -88.85 -0.71 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.518 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 17.7 mt -55.68 -49.07 94.9 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.533 0.206 . . . . 0.0 111.365 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -52.14 -23.89 18.71 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.371 2.047 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.613 HD22 HD11 ' A' ' 62' ' ' ILE . 1.3 tt -59.02 -40.26 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.156 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CE1' HD12 ' A' ' 50' ' ' ILE . 28.1 m-85 -50.2 -35.68 27.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.247 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.77 -46.25 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -71.79 -25.46 62.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.855 HG22 HD12 ' A' ' 66' ' ' ILE . 34.8 mm -68.01 -35.78 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.358 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 4.1 mtm180 -57.32 -59.64 12.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.794 ' HG2' HG11 ' A' ' 5' ' ' VAL . 66.6 Cg_exo -40.06 -51.65 3.08 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.077 2.518 . . . . 0.0 112.901 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 9' ' ' PHE . 1.9 mt -66.29 -37.36 85.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.855 HD12 HG22 ' A' ' 62' ' ' ILE . 3.7 mt -67.07 139.87 95.59 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.527 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 87.4 Cg_exo -47.28 156.1 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.649 2.233 . . . . 0.0 112.733 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.29 -45.52 72.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.373 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -79.4 -34.59 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.66 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 13.1 m-70 -67.69 -33.45 74.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.346 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.424 ' HA ' HG21 ' A' ' 66' ' ' ILE . 8.3 pt20 -67.3 -36.54 81.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.346 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.1 t -65.4 -51.88 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.526 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -38.12 81.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.372 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.661 ' CD1' HG22 ' A' ' 43' ' ' VAL . 61.0 t80 -54.26 -40.45 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.0 109.648 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.64 -34.88 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.247 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.74 -32.27 73.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.83 -34.57 39.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.8 p -86.92 107.92 16.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.8 174.5 10.32 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.506 2.138 . . . . 0.0 112.4 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.809 0.338 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -155.49 97.99 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -98.12 37.84 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -95.53 -54.48 3.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.986 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.653 HG11 ' HG2' ' A' ' 64' ' ' PRO . 11.6 t -60.9 -26.14 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.84 83.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 111.211 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.41 -54.69 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.4 -30.33 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.673 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.802 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.3 t80 -60.38 -53.86 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -63.71 -40.01 95.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.27 -48.94 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.397 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.675 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -66.43 -47.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.459 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.816 HG22 HD21 ' A' ' 58' ' ' LEU . 94.4 t -52.66 -49.71 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.722 0.296 . . . . 0.0 111.225 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.92 -32.11 73.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -68.87 -50.77 46.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.45 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.994 HD11 HD23 ' A' ' 58' ' ' LEU . 1.1 pp -79.98 -30.21 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.412 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.778 HD12 HG13 ' A' ' 13' ' ' VAL . 16.8 mt -103.1 -74.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 111.331 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 73.92 1.4 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.679 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.742 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.3 m120 -98.39 121.1 39.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -33.08 74.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.43 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.593 ' OE1' HG23 ' A' ' 17' ' ' ILE . 3.1 mt-10 -65.71 -35.51 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.806 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -66.94 -35.26 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.602 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.85 -33.33 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.389 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.61 -50.03 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.576 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.0 pp -63.85 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -35.02 77.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.61 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.95 -42.19 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.983 HG12 HD12 ' A' ' 42' ' ' LEU . 21.2 t -61.01 -48.34 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.7 -40.68 92.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -56.45 -42.0 77.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.74 ' CE ' HG21 ' A' ' 36' ' ' THR . 6.1 ptm -83.07 -28.37 29.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.793 ' OH ' HG22 ' A' ' 39' ' ' VAL . 14.4 t80 -60.14 -34.51 73.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.751 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -48.18 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -74.83 -54.72 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.74 HG21 ' CE ' ' A' ' 32' ' ' MET . 70.8 p -62.93 -37.97 89.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt 61.52 34.59 17.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.548 ' CG ' HG23 ' A' ' 41' ' ' VAL . 1.3 t0 -105.03 101.86 11.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.793 HG22 ' OH ' ' A' ' 33' ' ' TYR . 22.1 t -65.18 -40.63 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.92 77.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.548 HG23 ' CG ' ' A' ' 38' ' ' ASP . 25.1 t -73.47 -43.45 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.983 HD12 HG12 ' A' ' 29' ' ' VAL . 4.0 tp -60.54 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -66.69 -40.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.68 -61.36 7.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.604 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.626 ' HA ' HD12 ' A' ' 48' ' ' LEU . 17.5 t0 -59.43 -46.91 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.6 HD12 ' HG ' ' A' ' 42' ' ' LEU . 20.1 mt -57.64 -29.41 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.1 ttpt -73.68 -44.31 57.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 45' ' ' ASP . 9.4 mt -59.71 -36.67 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -87.56 -45.55 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 50' ' ' ILE . 26.8 mt -86.54 11.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.712 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.7 m-20 -51.83 -43.35 63.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -49.6 115.72 5.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 84.7 Cg_exo -43.55 -33.92 4.84 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.806 2.337 . . . . 0.0 112.687 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -67.65 -25.58 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -89.92 0.0 57.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.655 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 78.0 mt -56.98 -45.75 99.93 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.451 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.8 Cg_exo -49.8 -25.22 11.36 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.295 1.996 . . . . 0.0 112.525 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.994 HD23 HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.78 -47.06 83.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -49.95 -37.63 32.9 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.139 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.73 -44.52 69.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.675 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . . . -71.89 -27.8 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.435 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.695 HG22 HD12 ' A' ' 66' ' ' ILE . 31.7 mm -65.54 -37.31 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.594 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -57.19 -59.76 11.73 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.653 ' HG2' HG11 ' A' ' 5' ' ' VAL . 85.5 Cg_exo -41.81 -48.72 5.82 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.048 2.498 . . . . 0.0 112.883 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 9' ' ' PHE . 36.5 mt -66.13 -33.23 75.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.147 0.499 . . . . 0.0 110.563 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.695 HD12 HG22 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -81.44 141.3 48.97 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.887 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.1 Cg_endo -46.79 157.38 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.02 2.48 . . . . 0.0 112.67 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -50.87 -70.66 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.513 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -42.32 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 25.2 m170 -68.92 -30.93 69.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.176 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 66' ' ' ILE . 40.0 mt-30 -63.14 -49.08 75.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.24 -49.88 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.14 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' HG11 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.77 -41.79 95.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.848 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 43' ' ' VAL . 38.7 t80 -53.83 -39.42 65.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.2 0.524 . . . . 0.0 109.674 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -72.75 -30.99 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.355 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.72 -30.0 70.61 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.39 -38.9 13.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.0 p -91.85 131.52 35.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -74.2 167.22 27.7 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.412 2.075 . . . . 0.0 112.286 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.6 mtm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.93 84.82 2.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.91 110.43 22.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 -57.81 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.891 HG21 ' HB3' ' A' ' 64' ' ' PRO . 16.0 t -59.83 -26.19 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.24 69.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.229 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -52.04 62.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.586 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -32.96 70.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.808 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.4 t80 -62.34 -48.5 79.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.565 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -59.21 -42.0 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -68.59 -45.33 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.772 ' HD2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.87 -55.6 24.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 58' ' ' LEU . 41.9 t -52.44 -44.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.69 -40.85 93.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.772 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -68.84 -35.92 77.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.937 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.772 HD11 ' HD2' ' A' ' 12' ' ' LYS . 2.8 mt -81.55 -66.85 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.592 HD12 ' CG1' ' A' ' 13' ' ' VAL . 23.8 mt -68.77 -60.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.252 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 75.84 1.31 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.673 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.547 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.3 t-20 -99.98 178.73 4.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.68 -39.26 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -46.84 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.59 -41.39 97.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.5 ttmt -66.68 -31.62 72.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.59 64.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.664 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -70.32 -47.15 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.817 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -38.44 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.592 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.22 -42.48 96.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 25' ' ' TYR . 34.9 t -63.98 -42.21 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 65' ' ' LEU . 12.1 mt -67.34 -45.4 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.732 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -55.88 -39.19 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.5 mtp -82.8 -32.15 27.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.791 ' OH ' HG22 ' A' ' 39' ' ' VAL . 10.8 t80 -59.66 -30.27 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.57 -48.69 59.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -74.7 -42.9 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.8 p -75.7 -38.74 58.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 64.64 37.51 7.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.648 ' HB3' HG23 ' A' ' 41' ' ' VAL . 73.3 m-20 -105.92 98.98 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.791 HG22 ' OH ' ' A' ' 33' ' ' TYR . 24.5 t -61.64 -45.66 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.8 68.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.5 t -73.46 -36.34 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.741 HD22 ' CE2' ' A' ' 33' ' ' TYR . 7.0 tp -68.74 -49.76 56.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.4 t -57.22 -46.14 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.255 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.11 -53.91 36.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.774 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -59.93 -47.07 87.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 50' ' ' ILE . 13.2 mt -57.58 -33.78 68.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -42.39 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.4 mt -56.1 -53.09 61.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 25' ' ' TYR . 2.2 p -64.08 -46.06 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.286 0.565 . . . . 0.0 110.474 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.919 HD13 ' CE1' ' A' ' 59' ' ' PHE . 28.9 mt -66.53 -87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.441 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.598 ' N ' HG22 ' A' ' 50' ' ' ILE . 68.8 m-20 52.08 41.2 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.718 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 50' ' ' ILE . 43.2 mt-10 -158.8 125.95 2.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.967 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 56' ' ' LEU . 52.4 Cg_exo -54.66 -26.32 45.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 0.0 112.226 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -67.74 -30.48 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.891 ' HB2' HG23 ' A' ' 50' ' ' ILE . 8.1 mtp85 -89.37 -14.06 36.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.508 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 53' ' ' PRO . 11.2 mt -47.36 -49.78 51.87 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.386 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 66.6 Cg_exo -50.81 -25.08 14.66 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.311 2.007 . . . . 0.0 112.233 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.088 HD23 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -58.93 -38.92 80.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.919 ' CE1' HD13 ' A' ' 50' ' ' ILE . 34.3 m-85 -50.24 -35.54 27.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 t70 -53.89 -49.48 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.234 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.94 61.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.669 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.088 HD11 HD23 ' A' ' 58' ' ' LEU . 72.6 mt -68.49 -35.22 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.33 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 14.2 mtp180 -57.9 -59.31 13.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.339 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.891 ' HB3' HG21 ' A' ' 5' ' ' VAL . 64.7 Cg_exo -39.67 -52.62 2.55 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.262 2.641 . . . . 0.0 113.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.554 HD11 HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.91 -29.88 70.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.784 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.635 HD12 HG22 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -76.8 138.65 66.08 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.4 Cg_endo -49.48 157.57 2.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.724 2.283 . . . . 0.0 112.573 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.23 -71.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.532 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -43.03 -47.08 5.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.458 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 23.0 m170 -64.78 -37.29 87.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -46.01 89.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.473 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.5 t -59.22 -55.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' OE2' HD11 ' A' ' 77' ' ' LEU . 2.9 tt0 -61.46 -37.63 84.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -54.62 -39.93 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.19 0.519 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -32.55 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.443 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.75 -29.82 70.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD11 ' OE2' ' A' ' 73' ' ' GLU . 4.1 mt -93.75 -40.12 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.324 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.5 p -74.31 155.15 88.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 80' ' ' ARG . 19.5 Cg_endo -58.07 -161.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.874 2.383 . . . . 0.0 112.261 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' PRO . 8.3 mtp85 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -98.0 35.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.08 84.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.39 -58.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.04 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.852 HG11 ' CB ' ' A' ' 64' ' ' PRO . 4.1 t -66.45 -26.08 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.88 73.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.002 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -46.35 87.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.487 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -35.55 80.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 13' ' ' VAL . 40.4 t80 -60.24 -49.65 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.49 87.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.612 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -37.03 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.775 ' CD ' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -64.08 -54.65 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.813 HG22 HD11 ' A' ' 58' ' ' LEU . 33.7 t -53.16 -47.84 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.208 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -59.18 -37.66 77.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -41.51 78.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.775 HD11 ' CD ' ' A' ' 12' ' ' LYS . 1.5 mt -82.81 -67.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.642 HD12 HG13 ' A' ' 13' ' ' VAL . 19.1 mt -73.5 -65.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.252 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 76.71 1.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.53 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.636 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 8.2 t-20 -95.48 117.26 30.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -59.01 -34.1 71.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -63.81 -57.51 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -35.82 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.519 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HG2' HG11 ' A' ' 13' ' ' VAL . 4.9 mtmt -68.29 -45.09 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.688 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.572 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.62 -51.42 35.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.695 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 26' ' ' LEU . 1.1 pp -67.33 -31.74 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.801 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -39.02 85.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.582 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.62 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.959 HG12 HD12 ' A' ' 42' ' ' LEU . 31.3 t -60.2 -45.36 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.94 -47.69 82.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -37.95 69.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.793 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' THR . 11.0 mtp -79.92 -31.59 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.603 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.811 ' CE2' HD11 ' A' ' 66' ' ' ILE . 49.2 t80 -60.38 -35.07 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -63.96 -51.17 65.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -74.7 -52.54 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' MET . 27.8 p -62.99 -41.16 99.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.87 39.95 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.2 m-20 -112.57 100.68 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 43' ' ' VAL . 23.0 t -67.13 -31.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.3 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.1 t -73.26 -36.47 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.959 HD12 HG12 ' A' ' 29' ' ' VAL . 6.8 tp -64.63 -41.95 95.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 39' ' ' VAL . 37.9 t -67.5 -50.48 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.18 -46.88 93.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.6 m-20 -61.63 -44.65 96.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.33 -40.98 92.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -43.44 80.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 45' ' ' ASP . 32.6 mt -53.93 -53.04 58.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -68.83 -46.09 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.16 0.505 . . . . 0.0 110.491 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.906 HG23 ' HB2' ' A' ' 55' ' ' ARG . 84.2 mt -65.78 -85.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.486 ' N ' HG22 ' A' ' 50' ' ' ILE . 9.3 p30 45.54 39.46 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.678 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' H ' HG22 ' A' ' 50' ' ' ILE . 37.4 mt-10 -153.23 123.78 3.47 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.116 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.23 -25.58 24.05 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.527 2.151 . . . . 0.0 112.46 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.3 p -67.66 -30.8 70.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.906 ' HB2' HG23 ' A' ' 50' ' ' ILE . 21.2 mtt-85 -92.14 -7.01 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.511 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.9 mt -45.71 -55.82 11.57 Favored Pre-proline 0 CA--C 1.53 0.188 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.5 Cg_endo -46.36 -24.34 2.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.828 2.352 . . . . 0.0 112.702 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.813 HD11 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -63.73 -29.52 70.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.766 0.317 . . . . 0.0 111.04 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.895 ' HA ' HD12 ' A' ' 62' ' ' ILE . 38.8 m-85 -61.52 -51.42 68.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.719 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.9 p30 -53.56 -38.07 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.153 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 -28.59 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.377 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' A' ' 59' ' ' PHE . 18.6 mt -69.18 -35.94 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.56 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -57.17 -56.65 31.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.614 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.852 ' CB ' HG11 ' A' ' 5' ' ' VAL . 29.6 Cg_exo -36.32 -52.82 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.6 2.866 . . . . 0.0 113.909 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -65.7 -30.33 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.811 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -73.74 149.96 88.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 66' ' ' ILE . 51.8 Cg_exo -54.82 156.3 15.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.69 2.26 . . . . 0.0 112.559 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -67.83 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.61 39.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.4 -37.34 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -59.95 -47.48 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.008 0.433 . . . . 0.0 110.598 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -56.8 -52.57 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.84 -33.31 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.474 ' CE1' HG21 ' A' ' 78' ' ' THR . 7.8 t80 -54.13 -43.49 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.697 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.75 -36.34 67.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.44 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.75 -30.94 71.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' CG1' ' A' ' 39' ' ' VAL . 96.0 mt -86.92 -36.6 18.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.763 HG22 HG13 ' A' ' 43' ' ' VAL . 82.8 p -87.38 129.06 52.76 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.57 141.66 28.3 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.449 2.1 . . . . 0.0 112.307 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.94 173.24 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.41 145.06 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -52.18 63.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.779 HG21 ' HB3' ' A' ' 64' ' ' PRO . 16.3 t -74.59 -26.16 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.18 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.97 82.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -59.93 -54.8 41.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -30.46 71.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.577 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.809 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.0 t80 -61.41 -53.8 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.79 93.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -62.24 -53.26 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 8.3 ptmt -65.1 -43.07 93.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.199 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.93 HG22 HD11 ' A' ' 58' ' ' LEU . 60.8 t -52.49 -45.56 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -71.89 -30.51 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.729 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.82 -50.99 45.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.457 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD12 ' CG1' ' A' ' 17' ' ' ILE . 0.6 OUTLIER -78.76 -35.21 44.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.448 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.732 HD12 HG13 ' A' ' 13' ' ' VAL . 12.1 mt -96.61 -65.99 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.78 1.26 3.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.7 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.564 ' HB2' HG22 ' A' ' 17' ' ' ILE . 4.0 m120 -96.48 116.62 29.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.31 -34.36 70.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.31 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' CB ' HG21 ' A' ' 17' ' ' ILE . 7.4 mm-40 -67.9 -36.93 81.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -71.85 -35.6 69.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -34.56 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.74 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.0 t80 -69.08 -49.35 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.674 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.5 pp -65.24 -33.27 75.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.88 -37.32 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.86 -39.47 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.749 HG12 HD12 ' A' ' 42' ' ' LEU . 16.2 t -62.21 -46.88 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.47 -44.68 77.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -56.15 -39.83 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.911 ' O ' HG22 ' A' ' 36' ' ' THR . 0.8 OUTLIER -86.76 -28.6 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.73 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.9 t80 -58.66 -35.23 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -74.68 -55.0 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.31 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 32' ' ' MET . 5.8 t -73.02 -31.73 64.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.238 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.35 36.76 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 36' ' ' THR . 1.0 OUTLIER -102.93 96.97 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG22 ' OH ' ' A' ' 33' ' ' TYR . 15.8 t -63.69 -36.13 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.58 -37.45 78.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD12 HG12 ' A' ' 29' ' ' VAL . 26.1 tp -58.32 -47.0 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.2 t -65.5 -39.42 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.77 -61.35 7.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.634 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.475 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.1 m-20 -57.5 -53.79 54.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.994 0.425 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.645 HD13 ' OH ' ' A' ' 74' ' ' TYR . 51.2 mt -50.76 -28.24 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.727 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 12.7 ttmt -74.12 -44.34 54.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.27 -32.22 66.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.566 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -96.48 -30.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 50' ' ' ILE . 16.2 mt -108.37 25.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -75.44 -6.66 51.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 111.205 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 4.0 mt-10 -97.45 116.71 65.91 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.477 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 73.4 Cg_exo -37.73 -29.7 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.41 2.74 . . . . 0.0 113.318 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' NH1' HG23 ' A' ' 17' ' ' ILE . 4.3 mtt-85 -92.16 3.02 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.921 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.44 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 10.7 mt -53.9 -49.73 87.85 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.562 0.22 . . . . 0.0 111.238 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 71.4 Cg_exo -48.89 -25.59 8.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.151 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 13' ' ' VAL . 58.6 tp -55.62 -42.22 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.195 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' HA ' HD12 ' A' ' 62' ' ' ILE . 32.0 m-85 -50.15 -33.79 20.13 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -53.69 -49.67 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 9' ' ' PHE . . . -71.89 -27.46 62.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.778 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 59' ' ' PHE . 59.9 mt -67.75 -30.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.438 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 3.4 mtp180 -63.01 -59.38 12.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.205 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.779 ' HB3' HG21 ' A' ' 5' ' ' VAL . 72.6 Cg_exo -41.84 -52.59 3.85 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.076 2.517 . . . . 0.0 113.108 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.1 pp -65.5 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.336 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -87.9 141.81 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.82 157.2 13.28 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 112.215 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -66.67 0.35 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -46.81 29.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.471 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 8.3 m170 -65.23 -29.89 70.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.948 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' CG ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -62.12 -54.13 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.143 0.497 . . . . 0.0 110.626 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -57.66 -48.51 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -39.82 94.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 46' ' ' LEU . 29.1 t80 -54.05 -39.86 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -72.58 -32.1 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -65.76 -30.32 70.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 39' ' ' VAL . 18.0 mt -88.85 -45.61 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.052 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 74' ' ' TYR . 69.7 p -64.38 112.24 7.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.61 128.68 16.52 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.476 2.117 . . . . 0.0 112.226 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.349 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mmt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.811 0.339 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -149.23 93.26 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.635 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 1.5 tpt180 60.05 170.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -106.75 -53.72 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.848 HG21 ' HB3' ' A' ' 64' ' ' PRO . 20.6 t -74.71 -27.55 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.403 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 3' ' ' ARG . . . -58.61 -47.65 83.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.0 ttt-85 -62.45 -47.5 83.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.247 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.94 -30.37 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.379 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 31.1 t80 -62.89 -50.14 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.45 -45.52 93.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -63.63 -53.22 54.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.889 ' HE2' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.256 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.628 HG23 ' HD2' ' A' ' 12' ' ' LYS . 4.0 t -55.34 -43.49 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.811 0.338 . . . . 0.0 110.799 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.58 -34.06 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.97 -50.88 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.263 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -71.88 -52.19 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.733 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -71.13 -70.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.94 1.38 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.778 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.733 ' H ' HG22 ' A' ' 17' ' ' ILE . 68.9 m-20 -111.79 165.54 11.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.813 0.339 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.56 -41.54 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.93 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.032 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.84 -45.02 93.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -59.15 -38.67 80.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.501 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.71 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -65.33 -44.83 86.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.702 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -65.03 -45.5 85.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.06 -35.02 77.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -45.82 83.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.72 HG12 HD12 ' A' ' 42' ' ' LEU . 12.2 t -61.23 -47.64 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 65' ' ' LEU . 5.5 mt -63.01 -49.31 75.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.89 -41.28 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' THR . 38.5 mtp -77.59 -31.44 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.59 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE2' HD22 ' A' ' 42' ' ' LEU . 22.2 t80 -62.34 -31.57 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -70.77 -47.04 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -74.54 -37.74 62.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.039 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 32' ' ' MET . 69.5 p -78.77 -42.42 28.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.31 45.25 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -128.65 104.27 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.5 t -58.35 -30.38 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.201 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.36 96.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -73.54 -36.3 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.721 ' HG ' HD12 ' A' ' 46' ' ' LEU . 12.2 tp -63.83 -52.27 60.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.1 t -62.69 -39.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.26 -61.29 7.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' LEU . 57.4 m-20 -59.45 -51.73 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.754 HD13 ' OH ' ' A' ' 74' ' ' TYR . 15.3 mt -54.94 -28.55 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HE2' HG12 ' A' ' 43' ' ' VAL . 6.8 mtmt -73.99 -52.45 12.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.796 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.0 mt -53.94 -33.24 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.293 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.08 -45.37 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.415 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.638 HG22 ' O ' ' A' ' 50' ' ' ILE . 12.6 mt -91.34 20.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.8 m-20 -61.36 -38.4 86.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.931 0.396 . . . . 0.0 110.679 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 3.0 mm-40 -52.11 115.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 91.7 Cg_exo -42.88 -30.64 1.88 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.852 2.368 . . . . 0.0 112.714 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -67.69 -30.32 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HB3' HG23 ' A' ' 50' ' ' ILE . 58.2 mtt85 -89.74 -0.44 57.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.515 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 18.8 mt -55.98 -47.75 98.14 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.25 -23.88 19.25 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 0.0 112.536 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.913 HD22 HD11 ' A' ' 62' ' ' ILE . 1.2 tt -55.63 -45.34 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.323 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.861 ' HA ' HD12 ' A' ' 62' ' ' ILE . 51.7 m-85 -50.2 -30.23 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.529 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 t0 -53.84 -56.82 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.329 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -71.67 -18.67 62.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.926 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.913 HD11 HD22 ' A' ' 58' ' ' LEU . 65.8 mt -74.49 -30.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.549 0.214 . . . . 0.0 111.555 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.533 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 2.6 mtt180 -65.36 -54.33 32.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.303 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.848 ' HB3' HG21 ' A' ' 5' ' ' VAL . 84.8 Cg_exo -42.05 -52.45 4.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.946 2.431 . . . . 0.0 113.391 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 30' ' ' LEU . 1.4 pp -65.52 -22.34 66.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.399 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -82.2 149.12 61.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.874 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 66' ' ' ILE . 74.1 Cg_exo -50.25 157.43 3.08 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.676 2.251 . . . . 0.0 112.666 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 ' HD2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -50.3 -72.48 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.001 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HD2' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -51.33 -32.35 25.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.992 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -65.68 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.424 ' CG ' HG22 ' A' ' 66' ' ' ILE . 4.9 mt-30 -60.02 -51.61 68.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.006 0.431 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.25 -50.58 76.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.032 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.14 -38.94 93.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.754 ' OH ' HD13 ' A' ' 46' ' ' LEU . 5.9 t80 -54.05 -40.38 67.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -31.7 65.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -65.7 -30.46 71.15 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD13 HG21 ' A' ' 43' ' ' VAL . 11.9 mt -90.6 -40.28 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.126 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 24.4 p -76.7 161.43 74.14 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 71.4 Cg_exo -48.91 132.4 26.78 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.606 2.204 . . . . 0.0 112.392 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.872 0.367 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 t0 60.46 31.42 20.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.6 mtt85 -102.03 40.98 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -32.18 45.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 64' ' ' PRO . 23.3 t -74.69 -26.18 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -67.92 -54.32 19.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.745 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.41 -33.28 69.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.665 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.909 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.3 t80 -64.12 -52.59 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.662 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -61.42 -53.36 57.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 1.1 ptmt -61.2 -41.54 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.964 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 9' ' ' PHE . 89.2 t -52.5 -51.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.738 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -32.94 74.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.229 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -40.43 79.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.799 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 22' ' ' GLU . 26.8 mt -71.38 -66.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 75.97 1.15 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.677 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.711 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.7 t-20 -96.92 130.26 44.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -68.49 -33.1 73.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.34 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.714 ' HB2' HG21 ' A' ' 17' ' ' ILE . 3.1 mm-40 -64.08 -39.54 94.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.21 -31.2 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.742 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.97 -32.3 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -69.62 -49.09 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.736 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -65.61 -33.57 76.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -36.74 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.631 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -68.87 -37.72 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.985 HG12 HD12 ' A' ' 42' ' ' LEU . 28.2 t -65.23 -45.97 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.04 -45.55 88.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -39.26 75.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.28 -30.44 30.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.703 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.592 ' CG ' HD13 ' A' ' 42' ' ' LEU . 39.1 t80 -61.46 -32.17 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.1 -44.05 63.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.75 -41.66 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 p -78.71 -41.2 31.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.015 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm 64.02 40.2 7.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.52 106.16 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.6 t -63.39 -33.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.9 89.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -73.44 -37.96 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.985 HD12 HG12 ' A' ' 29' ' ' VAL . 11.1 tp -62.85 -52.25 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 39' ' ' VAL . 23.2 t -62.49 -39.37 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.38 -61.16 7.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.647 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.804 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.6 m-20 -61.36 -47.38 86.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.991 0.424 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 46' ' ' LEU . 17.3 mt -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ASN . 17.7 ttmt -74.01 -45.49 49.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 45' ' ' ASP . 6.2 mt -56.76 -37.13 70.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.32 -45.01 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.306 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 50' ' ' ILE . 23.5 mt -87.6 15.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.646 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.3 p30 -55.67 -41.56 73.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.903 0.382 . . . . 0.0 110.949 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -49.84 114.84 4.56 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 96.8 Cg_exo -41.44 -30.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.949 2.433 . . . . 0.0 112.763 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -38.17 83.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HB3' HG23 ' A' ' 50' ' ' ILE . 70.2 mtt180 -78.9 -3.75 46.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.599 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 28.5 mt -53.19 -58.86 10.76 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.2 Cg_endo -48.64 -24.75 7.04 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.712 2.275 . . . . 0.0 112.575 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.26 -38.47 71.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 62' ' ' ILE . 24.4 m-85 -51.25 -30.71 18.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 14.3 m-20 -53.83 -49.25 68.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.185 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -72.35 -18.98 61.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.039 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.5 mt -74.38 -43.16 49.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.47 -51.82 78.86 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.053 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.751 ' HB2' HG11 ' A' ' 5' ' ' VAL . 56.2 Cg_exo -38.53 -53.7 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.138 2.559 . . . . 0.0 114.204 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.34 -28.7 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.171 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -69.86 151.33 96.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 66' ' ' ILE . 71.8 Cg_exo -49.79 157.35 2.62 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.802 2.335 . . . . 0.0 112.617 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.069 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -30.69 9.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -67.13 -36.18 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.624 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.98 -51.98 67.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.092 0.472 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.23 -48.55 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.87 -38.54 89.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.754 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -53.94 -40.83 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.22 0.533 . . . . 0.0 109.749 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -72.71 -33.64 66.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.515 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.77 -27.89 68.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.58 -40.5 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.8 p -72.83 121.8 85.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.96 145.84 32.09 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.485 2.123 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.826 0.346 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -98.66 31.81 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.668 ' HG2' ' HB3' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -152.87 76.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.37 -45.46 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.876 HG11 ' CB ' ' A' ' 64' ' ' PRO . 16.3 t -74.75 -26.19 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.925 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.668 ' HB3' ' HG2' ' A' ' 3' ' ' ARG . . . -56.07 -39.63 72.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.43 -54.68 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.424 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -34.28 76.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.298 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.668 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.3 t80 -60.1 -52.31 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -57.43 -42.01 81.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -69.11 -36.79 77.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.683 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HD2' HD11 ' A' ' 16' ' ' LEU . 1.1 tmtp? -67.53 -58.82 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.668 HG21 ' CE1' ' A' ' 9' ' ' PHE . 36.1 t -52.57 -43.24 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.05 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -41.81 77.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.928 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.76 HD11 ' HD2' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -76.45 -65.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.667 HG22 ' H ' ' A' ' 19' ' ' ASN . 25.3 mt -77.54 -68.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.227 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.54 1.32 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.667 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.2 m120 -94.14 162.49 13.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -93.43 -38.13 11.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.85 64.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' CB ' HG21 ' A' ' 17' ' ' ILE . 4.9 mp0 -58.19 -44.4 88.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.679 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -58.32 -40.1 81.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.07 -37.1 86.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.484 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -62.31 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -61.22 -47.67 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.388 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.6 -35.38 70.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.3 -40.3 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.783 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.943 HG12 HD12 ' A' ' 42' ' ' LEU . 20.3 t -61.94 -43.42 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -60.0 -37.17 78.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 36' ' ' THR . 2.0 mmt -85.02 -30.88 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.641 ' CG ' HD13 ' A' ' 42' ' ' LEU . 24.6 t80 -61.96 -33.76 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.0 -43.8 56.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -39.65 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 32' ' ' MET . 43.2 p -78.81 -41.14 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.24 61.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -150.05 107.58 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.3 t -58.84 -34.73 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.06 81.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 38' ' ' ASP . 23.7 t -73.45 -36.39 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.943 HD12 HG12 ' A' ' 29' ' ' VAL . 19.3 tp -58.98 -52.2 66.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.092 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.8 t -59.76 -39.62 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.83 -59.07 11.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.554 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.651 ' HA ' HD12 ' A' ' 48' ' ' LEU . 7.4 m-20 -59.2 -49.53 77.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.621 HD12 ' HG ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.54 -32.56 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -73.5 -42.07 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 45' ' ' ASP . 15.1 mt -56.69 -53.12 61.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 25' ' ' TYR . 2.5 p -62.01 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.629 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' A' ' 55' ' ' ARG . 72.8 mt -62.03 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.667 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.474 ' N ' HG22 ' A' ' 50' ' ' ILE . 9.9 m-20 51.93 26.36 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.948 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.623 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.9 mm-40 -145.88 121.04 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.896 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -50.99 -25.23 15.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.357 2.038 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -27.72 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.879 ' HB2' HG23 ' A' ' 50' ' ' ILE . 18.8 mtt-85 -92.16 -7.28 48.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.616 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 9.4 mt -49.54 -50.42 66.13 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-O 120.583 0.23 . . . . 0.0 111.33 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.2 Cg_exo -50.49 -24.42 12.35 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.409 2.073 . . . . 0.0 112.518 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.074 HD23 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -54.99 -43.15 73.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 62' ' ' ILE . 20.1 m-85 -50.13 -30.48 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.114 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.7 t70 -53.83 -52.77 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.81 -22.72 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.766 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.074 HD11 HD23 ' A' ' 58' ' ' LEU . 65.2 mt -71.51 -30.34 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 111.552 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 24.0 mtm-85 -64.98 -56.65 19.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.568 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.876 ' CB ' HG11 ' A' ' 5' ' ' VAL . 63.4 Cg_exo -39.99 -53.02 2.6 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.18 2.587 . . . . 0.0 113.532 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.09 -31.22 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 179.753 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.655 HD12 HG22 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -76.96 135.82 66.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.728 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 6.5 Cg_endo -49.59 157.49 2.31 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.783 2.322 . . . . 0.0 112.639 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.37 -70.44 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.546 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.94 -49.68 5.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.965 0.412 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.476 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.9 m170 -67.47 -30.1 69.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.716 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -54.03 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 110.247 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.5 -47.9 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -65.5 -36.93 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.604 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.665 ' O ' HG23 ' A' ' 78' ' ' THR . 49.8 t80 -54.37 -42.54 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -31.66 65.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.12 71.96 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.441 HD12 HG12 ' A' ' 39' ' ' VAL . 15.7 mt -89.94 -45.25 9.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 74' ' ' TYR . 62.7 p -63.83 126.21 89.4 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.76 157.04 10.78 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.369 2.046 . . . . 0.0 112.235 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.2 -64.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.794 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.21 -172.68 4.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.29 -58.02 0.58 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.205 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' ' 64' ' ' PRO . 15.3 t -53.66 -26.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.36 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.56 84.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -65.21 -54.49 28.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -33.54 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.9 t80 -60.49 -50.31 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.504 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.21 -45.31 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -66.23 -40.21 90.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.808 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.28 -58.55 8.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 58' ' ' LEU . 59.8 t -52.44 -46.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.39 -40.67 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.677 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -44.72 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.808 HD11 ' HD3' ' A' ' 12' ' ' LYS . 1.6 mt -72.58 -67.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 19' ' ' ASN . 21.7 mt -77.86 -67.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.194 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 76.05 1.06 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.69 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.63 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-80 -94.99 114.4 26.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.33 -36.14 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.12 -56.13 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.92 -35.09 74.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 3.7 mtmp? -66.93 -34.81 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.69 64.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.342 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.88 -49.06 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.569 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' C ' HD12 ' A' ' 26' ' ' LEU . 3.2 pp -64.64 -33.87 76.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.53 -34.05 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.587 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.58 -45.43 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG12 HD12 ' A' ' 42' ' ' LEU . 45.3 t -64.69 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.42 -46.03 91.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -57.71 -45.69 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' THR . 0.1 OUTLIER -71.92 -31.85 66.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.577 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.791 ' CE2' HD22 ' A' ' 42' ' ' LEU . 13.8 t80 -61.4 -34.61 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -48.45 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -74.88 -44.34 49.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' MET . 35.0 p -72.53 -33.87 67.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt 60.76 51.32 4.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.66 96.27 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.899 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.4 t -68.42 -44.89 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.01 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.2 t -73.48 -37.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.791 HD22 ' CE2' ' A' ' 33' ' ' TYR . 6.5 tp -64.57 -45.04 88.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.1 t -61.16 -44.93 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 48' ' ' LEU . . . -57.88 -61.63 7.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.75 -50.47 68.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.82 0.343 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.89 -27.5 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.96 -52.79 11.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.794 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 44' ' ' GLY . 1.1 mt -54.02 -34.43 59.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.77 -45.24 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.246 -179.677 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 55' ' ' ARG . 17.5 mt -90.89 20.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.541 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.8 p30 -57.56 -39.91 77.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -50.03 113.44 3.44 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.44 -30.77 2.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.794 2.329 . . . . 0.0 112.712 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -67.68 -30.78 70.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.714 ' HB3' HG23 ' A' ' 50' ' ' ILE . 78.7 mtt180 -84.62 -14.09 49.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.468 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 26.2 mt -46.68 -58.58 6.57 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.4 Cg_endo -44.42 -27.54 2.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.8 2.334 . . . . 0.0 112.703 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.62 ' CD2' HD11 ' A' ' 62' ' ' ILE . 7.2 tt -56.65 -41.02 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.59 ' HA ' HD12 ' A' ' 62' ' ' ILE . 25.3 m-85 -50.22 -30.09 10.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 74.0 m-20 -53.54 -51.72 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.69 -18.35 62.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.695 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' A' ' 58' ' ' LEU . 35.1 mt -74.41 -34.67 36.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.66 0.267 . . . . 0.0 111.556 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.3 ttp180 -60.39 -56.74 32.33 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.229 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.757 ' HB2' HG11 ' A' ' 5' ' ' VAL . 92.1 Cg_exo -45.7 -52.71 6.49 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.862 2.375 . . . . 0.0 112.791 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.0 pp -65.87 -15.57 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.387 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -82.26 158.68 66.33 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.683 0.278 . . . . 0.0 111.2 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 51.0 Cg_exo -55.48 157.51 14.87 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.772 2.314 . . . . 0.0 112.531 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -51.76 -68.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.04 -36.16 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.447 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.8 m170 -63.68 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.064 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.493 ' CG ' HG22 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -60.24 -56.18 24.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.163 0.506 . . . . 0.0 110.568 179.78 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.08 -46.46 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.59 -41.1 96.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -53.96 -39.58 66.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.174 0.511 . . . . 0.0 109.642 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.79 -31.64 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.44 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -65.63 -32.76 74.51 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.83 -38.58 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p -105.54 104.74 49.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.35 165.69 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.449 2.1 . . . . 0.0 112.272 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.869 0.366 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -45.17 3.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.9 134.17 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -132.91 -49.28 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.621 HG11 ' CG ' ' A' ' 64' ' ' PRO . 9.5 t -67.41 -26.1 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.047 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.32 -46.1 83.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.331 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -54.79 41.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.72 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.78 -30.4 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.402 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.942 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.2 t80 -63.97 -54.03 40.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -57.12 -45.05 83.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -57.82 -52.98 63.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HE3' ' HB2' ' A' ' 61' ' ' ALA . 4.2 ptpt -62.54 -31.51 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 9' ' ' PHE . 88.6 t -60.75 -51.56 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.672 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.96 -33.82 74.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.2 mt -84.47 -71.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.667 HG23 HH12 ' A' ' 55' ' ' ARG . 19.2 mm -56.69 -58.36 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 77.3 -4.22 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -111.94 169.06 9.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.766 0.317 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 13.9 t0 -102.68 -41.9 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.55 86.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.31 -50.86 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -59.67 -32.49 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -31.56 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.756 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -67.69 -41.27 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.617 HD22 HG11 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -67.77 -45.99 73.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.482 179.791 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -63.74 -34.29 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.09 -45.15 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 25' ' ' TYR . 28.8 t -60.3 -43.04 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.52 -46.08 91.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -56.51 -40.8 75.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.64 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.57 -30.86 47.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.536 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.784 ' OH ' HG22 ' A' ' 39' ' ' VAL . 16.3 t80 -61.54 -31.73 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.615 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.25 -44.12 69.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -40.84 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.7 p -78.69 -37.01 42.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 mmt 61.64 30.94 18.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.552 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -103.7 97.56 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.784 HG22 ' OH ' ' A' ' 33' ' ' TYR . 14.8 t -65.14 -38.96 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.43 81.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.4 t -73.25 -36.4 49.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.711 HD22 ' CD2' ' A' ' 33' ' ' TYR . 50.3 tp -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.6 t -65.63 -39.93 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.187 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.53 -57.09 20.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.707 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.4 t0 -59.99 -45.54 92.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.491 HD12 ' HG ' ' A' ' 42' ' ' LEU . 20.9 mt -58.26 -29.52 65.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.3 tptt -74.05 -52.75 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 0.0 110.987 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.5 mt -53.94 -33.98 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.418 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG11 HD22 ' A' ' 26' ' ' LEU . 1.6 p -92.1 -47.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 0.0 111.544 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.765 HG23 ' HB3' ' A' ' 55' ' ' ARG . 7.9 mt -90.54 21.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.652 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 m-20 -58.64 -41.3 85.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.31 115.5 7.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 56' ' ' LEU . 85.1 Cg_exo -43.2 -30.09 2.03 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.925 2.417 . . . . 0.0 112.73 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 m -67.73 -29.95 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HB3' HG23 ' A' ' 50' ' ' ILE . 70.1 mtt-85 -88.88 -8.52 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.586 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 53' ' ' PRO . 12.8 mt -53.19 -49.94 85.06 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-O 120.475 0.178 . . . . 0.0 111.421 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 68.6 Cg_exo -50.8 -24.87 14.2 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.461 2.107 . . . . 0.0 112.359 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.66 -31.86 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -50.02 -35.71 25.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.957 0.408 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -53.77 -48.86 69.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.859 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -18.42 62.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.771 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 66' ' ' ILE . 35.7 mm -74.47 -38.35 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.475 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.614 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -57.32 -53.64 63.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.29 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.621 ' CG ' HG11 ' A' ' 5' ' ' VAL . 82.7 Cg_exo -40.77 -51.41 3.63 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.883 2.389 . . . . 0.0 112.814 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.92 -36.89 84.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.173 0.511 . . . . 0.0 110.211 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.747 HD12 HG22 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -67.23 121.54 78.94 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.761 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.0 Cg_endo -48.59 157.75 1.35 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -49.82 -68.47 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.414 -179.321 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -44.93 -45.66 10.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 111.218 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 21.5 m170 -66.46 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.534 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.55 85.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.82 -52.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.647 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -38.1 89.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.786 ' O ' HG23 ' A' ' 78' ' ' THR . 27.4 t80 -54.75 -39.21 68.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.6 -33.38 66.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.378 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.63 -29.3 69.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mt -88.54 -42.22 12.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 74' ' ' TYR . 34.8 p -71.7 112.9 15.79 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.807 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.54 129.13 32.3 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.369 2.046 . . . . 0.0 112.27 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.865 0.364 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -141.06 114.01 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -60.26 145.83 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -136.52 -49.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.648 HG11 ' CG ' ' A' ' 64' ' ' PRO . 10.7 t -61.07 -26.09 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.17 92.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -63.79 -54.67 31.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.96 -30.72 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.7 t80 -62.0 -53.98 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.68 -38.11 86.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -63.77 -48.37 77.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.343 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.699 ' HE3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -69.4 -34.38 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.575 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.043 HG22 HD11 ' A' ' 58' ' ' LEU . 97.7 t -61.07 -50.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -36.73 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -68.77 -44.52 73.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 HD13 ' A' ' 58' ' ' LEU . 2.2 pp -84.87 -22.14 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.601 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.786 HG22 ' H ' ' A' ' 19' ' ' ASN . 22.4 mt -111.37 -81.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 0.0 111.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 72.57 1.42 3.98 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.716 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.786 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.7 m120 -71.73 -19.78 61.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.669 0.271 . . . . 0.0 111.28 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.31 -61.91 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 111.065 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.25 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HB2' HG21 ' A' ' 17' ' ' ILE . 5.0 mm-40 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HA ' HD21 ' A' ' 26' ' ' LEU . 4.6 mtmp? -63.6 -43.42 96.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -36.34 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 110.015 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.56 -57.08 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.314 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 23' ' ' LYS . 3.0 pp -59.56 -28.9 67.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -69.19 -37.32 78.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -43.17 76.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.751 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.862 HG12 HD12 ' A' ' 42' ' ' LEU . 38.8 t -60.74 -43.21 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.37 -51.67 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -37.51 75.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mtp -80.16 -30.71 38.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.638 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.673 ' CG ' HD13 ' A' ' 42' ' ' LEU . 29.7 t80 -62.27 -35.79 80.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -73.17 -39.44 65.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -74.81 -46.34 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -78.78 -39.77 35.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 mtp 65.68 46.31 2.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' HB3' HG23 ' A' ' 41' ' ' VAL . 7.9 m-20 -118.09 102.48 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.3 t -63.72 -39.55 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.29 91.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 38' ' ' ASP . 30.8 t -71.52 -36.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.9 HD21 HD11 ' A' ' 66' ' ' ILE . 8.3 tp -62.14 -50.83 70.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 39' ' ' VAL . 32.1 t -56.62 -44.25 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.91 -56.06 26.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.788 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.675 ' HA ' HD12 ' A' ' 48' ' ' LEU . 59.7 m-20 -58.3 -55.54 33.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.099 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.662 HD23 ' CD1' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -53.04 -26.8 16.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' ASN . 16.1 tttm -73.83 -50.38 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.5 mt -57.35 -33.19 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -89.04 -45.35 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.353 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.662 ' CD1' HD23 ' A' ' 46' ' ' LEU . 30.6 mt -88.39 14.3 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.506 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.5 p-10 -55.49 -39.06 69.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 114.07 7.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -42.11 -30.55 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.948 2.432 . . . . 0.0 112.755 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -30.99 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 50' ' ' ILE . 17.2 mtt85 -88.67 -3.0 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.654 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 16.0 mt -53.39 -49.13 89.96 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 120.456 0.169 . . . . 0.0 111.341 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 52.9 Cg_exo -54.76 -24.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.344 2.029 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.043 HD11 HG22 ' A' ' 13' ' ' VAL . 15.3 tp -58.26 -34.56 70.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -50.04 -37.94 35.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 21.2 t70 -53.76 -45.18 70.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.722 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.7 -26.56 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.415 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.649 HG22 HD12 ' A' ' 66' ' ' ILE . 34.4 mm -67.13 -34.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.225 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 4.2 mtm180 -57.24 -59.47 12.67 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CG ' HG11 ' A' ' 5' ' ' VAL . 65.1 Cg_exo -38.36 -48.41 2.43 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.305 2.67 . . . . 0.0 112.935 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -41.54 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.187 0.517 . . . . 0.0 110.119 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.9 HD11 HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -62.68 141.36 97.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.601 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.09 157.48 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.617 2.211 . . . . 0.0 112.729 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -72.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.62 54.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CB ' HG23 ' A' ' 66' ' ' ILE . 16.8 m170 -62.7 -36.63 83.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -60.18 -45.27 93.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.059 0.457 . . . . 0.0 110.423 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.4 t -58.93 -53.27 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.685 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -63.18 -37.99 89.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.3 t80 -54.06 -39.66 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.117 0.484 . . . . 0.0 109.744 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.69 -34.24 67.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.283 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.61 -29.87 70.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -88.36 -28.45 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p -103.27 104.08 38.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.86 168.02 3.7 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.401 2.067 . . . . 0.0 112.348 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.818 0.342 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.23 168.54 9.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.15 134.32 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.27 -57.98 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.798 HG11 ' CB ' ' A' ' 64' ' ' PRO . 13.6 t -72.72 -26.13 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.38 80.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.203 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -50.56 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.23 -35.82 76.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 13' ' ' VAL . 24.2 t80 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -46.5 88.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -65.61 -41.81 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.654 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.701 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.23 -58.91 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 9' ' ' PHE . 33.1 t -53.04 -41.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.412 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.78 -40.04 72.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.87 -38.07 79.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.701 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -82.06 -56.7 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 19' ' ' ASN . 29.5 mm -68.31 -67.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 75.92 1.36 3.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.551 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.692 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 t-20 -111.94 171.47 7.48 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.39 -36.87 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.03 16.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -59.56 -39.27 83.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HG2' HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -67.52 -30.65 70.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.87 -31.95 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.356 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.875 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -69.53 -49.4 54.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.586 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 26' ' ' LEU . 2.4 pp -66.31 -34.84 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.796 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.0 -37.15 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -70.27 -36.54 74.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 25' ' ' TYR . 15.6 t -62.72 -49.3 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 62' ' ' ILE . 11.5 mt -62.47 -43.95 97.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -36.19 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 36' ' ' THR . 10.8 mmt -79.32 -35.78 40.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.781 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.597 ' HH ' ' CG ' ' A' ' 70' ' ' HIS . 50.6 t80 -58.85 -36.29 74.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -61.51 -53.6 54.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -74.76 -54.48 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 32' ' ' MET . 22.2 p -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.072 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.94 60.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -137.56 108.64 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.2 t -65.42 -39.28 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.88 83.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.46 -36.39 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD21 HD11 ' A' ' 66' ' ' ILE . 31.9 tp -66.98 -52.09 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.654 HG22 ' CE1' ' A' ' 74' ' ' TYR . 31.9 t -65.84 -46.36 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.35 -52.13 53.48 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.645 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.772 ' HA ' HD12 ' A' ' 48' ' ' LEU . 3.7 t0 -63.4 -48.12 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 111.001 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.607 HD13 ' OH ' ' A' ' 74' ' ' TYR . 3.4 mt -56.95 -34.38 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -42.46 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 45' ' ' ASP . 13.9 mt -56.47 -53.09 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.983 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -65.75 -45.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.215 0.531 . . . . 0.0 110.566 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' A' ' 55' ' ' ARG . 81.2 mt -68.05 -86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.679 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.533 ' N ' HG22 ' A' ' 50' ' ' ILE . 1.1 m-80 52.51 33.93 14.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.62 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.635 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.3 mt-10 -148.27 121.6 4.7 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.967 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' HD12 ' A' ' 56' ' ' LEU . 56.0 Cg_exo -51.77 -25.07 19.78 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.501 2.134 . . . . 0.0 112.307 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.4 p -67.77 -29.13 68.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.842 ' HB2' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -92.05 -17.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.322 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 53' ' ' PRO . 8.6 mt -43.08 -50.39 14.23 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.501 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 68.1 Cg_exo -50.78 -25.15 14.72 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.436 2.09 . . . . 0.0 112.312 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 62' ' ' ILE . 6.0 tt -56.28 -43.79 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.636 ' HA ' HD12 ' A' ' 62' ' ' ILE . 43.3 m-85 -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 t70 -53.34 -51.7 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -21.13 61.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 58' ' ' LEU . 51.5 mt -72.12 -30.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.437 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -56.95 18.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.545 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.798 ' CB ' HG11 ' A' ' 5' ' ' VAL . 67.9 Cg_exo -40.64 -53.19 2.87 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.188 2.592 . . . . 0.0 113.399 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.361 0.601 . . . . 0.0 110.045 179.351 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 HD21 ' A' ' 42' ' ' LEU . 3.3 mt -66.76 140.28 96.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.85 155.05 0.6 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.731 2.287 . . . . 0.0 112.759 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -74.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -46.89 -36.94 8.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.222 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CG ' ' HH ' ' A' ' 33' ' ' TYR . 29.4 m170 -64.9 -38.51 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.87 -45.65 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.05 0.452 . . . . 0.0 110.643 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.93 -53.2 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.016 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -38.6 91.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.654 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.6 t80 -53.89 -40.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.15 0.5 . . . . 0.0 109.753 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.79 -32.78 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.536 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -31.54 72.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.04 -33.9 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p -91.0 116.48 66.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.16 128.88 28.82 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.436 2.091 . . . . 0.0 112.268 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.822 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -167.12 134.43 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.56 -43.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -55.44 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.65 HG11 ' HG2' ' A' ' 64' ' ' PRO . 6.0 t -72.48 -26.4 24.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.02 -47.58 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.34 33.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.404 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.14 -32.26 69.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.403 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.676 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 14.1 t80 -60.21 -53.05 62.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -57.33 -43.25 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -66.97 -41.96 85.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.836 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -61.8 -58.87 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.988 HG22 HD21 ' A' ' 58' ' ' LEU . 26.7 t -52.69 -43.74 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.04 -41.54 99.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -50.77 47.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.836 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -66.46 -66.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.76 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.757 HG22 ' H ' ' A' ' 19' ' ' ASN . 30.7 mt -71.14 -70.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.163 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 73.93 1.26 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.727 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.757 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.2 t30 -97.99 124.09 42.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.832 0.348 . . . . 0.0 110.955 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -60.23 -39.45 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.78 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.012 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.88 -38.5 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 26' ' ' LEU . 13.3 mtmt -65.26 -33.98 77.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.8 -31.67 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.798 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.3 t80 -68.93 -48.14 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.7 pp -65.81 -37.01 85.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -34.37 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.2 -40.4 78.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.967 HG12 HD12 ' A' ' 42' ' ' LEU . 21.5 t -61.89 -49.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.747 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.82 -37.79 83.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -64.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -31.27 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.598 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CG ' HD13 ' A' ' 42' ' ' LEU . 21.1 t80 -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.682 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -39.57 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -74.8 -45.76 41.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.2 p -78.64 -37.59 41.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.1 mmt 62.06 54.57 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.414 ' HB3' HG23 ' A' ' 41' ' ' VAL . 1.9 t0 -128.06 99.44 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.542 HG22 ' OH ' ' A' ' 33' ' ' TYR . 21.3 t -59.9 -30.71 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.64 93.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 38' ' ' ASP . 22.5 t -73.51 -36.39 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.967 HD12 HG12 ' A' ' 29' ' ' VAL . 8.8 tp -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -55.79 -44.68 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.088 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.447 ' N ' ' CG1' ' A' ' 43' ' ' VAL . . . -58.01 -59.01 11.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.579 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.517 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -61.18 -42.49 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.26 -33.09 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -73.98 -50.55 19.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.721 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 45' ' ' ASP . 22.6 mt -49.97 -38.39 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.408 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.43 -46.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.474 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 50' ' ' ILE . 8.6 mt -89.95 24.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.598 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LYS . 16.5 p30 -57.01 -43.09 81.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.811 0.339 . . . . 0.0 111.037 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.9 116.59 2.42 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.446 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.601 ' HA ' HD12 ' A' ' 56' ' ' LEU . 80.8 Cg_exo -44.23 -50.31 7.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.906 2.404 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -19.79 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.052 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.757 HH21 HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -86.44 -19.79 29.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.265 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 53' ' ' PRO . 14.9 mt -51.26 -48.97 84.35 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.566 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.485 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 83.4 Cg_exo -45.17 -28.5 3.52 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.547 2.164 . . . . 0.0 112.653 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.988 HD21 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -60.39 -29.9 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -50.16 -31.94 14.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 5.1 t70 -53.74 -47.62 70.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -72.37 -19.55 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD13 ' HE2' ' A' ' 9' ' ' PHE . 31.3 mm -73.09 -43.25 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.66 -52.77 71.04 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.4 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HG2' HG11 ' A' ' 5' ' ' VAL . 75.1 Cg_exo -39.46 -52.2 2.54 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.972 2.448 . . . . 0.0 113.017 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.64 -30.67 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.488 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.92 152.48 95.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 50.6 Cg_exo -53.35 157.68 8.64 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.09 -72.17 0.05 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -30.21 49.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 10.2 m170 -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.88 -50.53 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.046 0.451 . . . . 0.0 110.569 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 t -58.95 -48.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.88 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -67.14 -37.19 83.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -53.93 -43.69 70.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.173 0.511 . . . . 0.0 109.767 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.75 -31.17 64.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.484 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -65.58 -32.75 74.5 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.01 -35.51 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p -91.17 126.12 56.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.05 156.45 59.89 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.532 2.155 . . . . 0.0 112.272 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.883 0.373 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -177.86 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.806 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.8 172.56 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.84 -58.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.233 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.907 HG11 ' CB ' ' A' ' 64' ' ' PRO . 2.7 t -74.8 -26.04 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.693 0.283 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.84 70.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -54.81 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.427 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -59.3 -33.09 70.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.461 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.19 -53.81 53.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -39.49 73.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -35.39 70.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.692 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.28 -58.71 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.034 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.647 HG13 HD11 ' A' ' 58' ' ' LEU . 46.9 t -54.43 -46.22 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -57.92 -44.34 86.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.92 -36.5 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.692 HD11 ' HD3' ' A' ' 12' ' ' LYS . 26.7 mt -78.93 -73.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 19' ' ' ASN . 28.8 mt -73.27 -66.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.206 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 76.41 1.36 3.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.578 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.645 ' H ' HG22 ' A' ' 17' ' ' ILE . 21.9 m-20 -92.05 118.63 30.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.836 0.35 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -59.38 -35.18 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.96 76.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -63.72 -34.14 77.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.804 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -69.82 -33.7 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -72.78 -33.69 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -69.68 -50.08 47.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.548 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 26' ' ' LEU . 3.1 pp -64.52 -31.99 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.4 m-85 -69.92 -37.68 75.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -42.59 89.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 HD12 ' A' ' 42' ' ' LEU . 29.2 t -62.89 -44.11 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.64 -45.42 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -55.48 -38.39 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mtp -81.24 -28.36 34.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.622 ' CG ' HD13 ' A' ' 42' ' ' LEU . 66.5 t80 -66.75 -27.0 67.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -52.46 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.403 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -36.06 62.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.59 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.3 p -78.54 -44.53 24.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.351 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt 64.39 43.07 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -111.13 98.1 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.6 t -62.25 -40.58 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.85 75.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.005 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.48 -36.39 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' A' ' 33' ' ' TYR . 12.5 tp -62.02 -50.58 71.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.3 t -57.24 -39.58 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.287 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.84 -59.14 10.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -63.36 -30.7 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD13 ' OH ' ' A' ' 74' ' ' TYR . 5.5 mt -58.51 -50.31 74.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -69.69 -35.43 75.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 45' ' ' ASP . 62.0 mt -56.02 -53.11 60.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -65.91 -46.65 87.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.109 0.481 . . . . 0.0 110.566 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.868 HG23 ' HB2' ' A' ' 55' ' ' ARG . 34.3 mm -62.92 -86.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.611 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.16 18.15 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.738 ' H ' HG22 ' A' ' 50' ' ' ILE . 4.0 mm-40 -141.43 119.43 7.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.643 0.258 . . . . 0.0 111.022 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.09 -23.87 13.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.589 2.192 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -67.54 -27.3 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.868 ' HB2' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -92.08 -12.99 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.488 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 8.0 mt -44.37 -50.71 21.81 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 51.6 Cg_exo -53.68 -23.53 26.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.232 1.955 . . . . 0.0 112.309 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.647 HD11 HG13 ' A' ' 13' ' ' VAL . 3.6 tt -60.72 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.577 ' HA ' HD12 ' A' ' 62' ' ' ILE . 32.2 m-85 -50.3 -33.93 21.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 m-20 -53.78 -47.89 70.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -18.81 61.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.838 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 59' ' ' PHE . 42.6 mt -73.74 -42.98 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.46 -52.07 76.98 Favored Pre-proline 0 N--CA 1.468 0.457 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.814 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.907 ' CB ' HG11 ' A' ' 5' ' ' VAL . 68.5 Cg_exo -40.46 -53.53 2.64 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.085 2.524 . . . . 0.0 114.252 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -66.05 -21.44 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.285 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -77.74 151.18 79.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 66' ' ' ILE . 88.4 Cg_exo -48.55 157.39 1.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.86 2.373 . . . . 0.0 112.764 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.59 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.023 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -46.22 -33.45 3.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.449 ' CG ' ' HH ' ' A' ' 33' ' ' TYR . 28.5 m170 -68.21 -35.91 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' CG ' HG22 ' A' ' 66' ' ' ILE . 4.8 mt-30 -60.66 -47.46 86.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.33 -54.76 29.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.3 -37.76 86.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.493 ' OH ' HD13 ' A' ' 46' ' ' LEU . 21.1 t80 -54.01 -41.2 67.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.184 0.516 . . . . 0.0 109.719 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.68 -31.8 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.487 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 39' ' ' VAL . 8.4 mt -90.41 -31.34 16.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p -104.35 92.88 5.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.28 -168.01 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.63 2.22 . . . . 0.0 112.265 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.817 0.341 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.778 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 28.7 m-20 -106.92 147.17 30.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -62.21 -76.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.39 -58.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.864 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.806 HG21 ' HB3' ' A' ' 64' ' ' PRO . 6.5 t -74.84 -27.37 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 2' ' ' ASP . . . -57.1 -42.23 80.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -67.86 -45.83 73.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.686 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.7 -30.22 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.802 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.2 t80 -65.67 -52.56 50.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.72 -42.14 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -69.5 -47.3 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.547 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.56 -33.55 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 0.0 111.182 -179.492 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 9' ' ' PHE . 61.1 t -65.87 -50.51 69.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -34.15 73.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.74 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -73.15 -66.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.637 HG22 ' H ' ' A' ' 19' ' ' ASN . 20.7 mt -73.76 -70.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 74.63 1.26 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.759 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -97.76 123.72 41.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -62.99 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -43.34 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -65.71 -39.93 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -67.12 -35.35 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.679 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.41 -35.33 77.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.239 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -67.21 -52.39 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.586 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 27' ' ' TYR . 4.3 pp -62.52 -30.2 71.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.623 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.771 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -67.27 -41.43 85.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 110.506 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.551 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 25' ' ' TYR . 21.8 t -60.18 -46.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.51 -45.01 89.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -58.37 -38.83 78.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.571 ' O ' HG23 ' A' ' 36' ' ' THR . 4.6 mtp -79.19 -31.75 43.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.761 ' CE2' HD22 ' A' ' 42' ' ' LEU . 28.2 t80 -64.09 -30.1 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.817 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.14 -47.69 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.78 -37.37 62.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.0 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 32' ' ' MET . 68.4 p -78.64 -40.51 34.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.13 30.49 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.697 ' HB3' HG23 ' A' ' 41' ' ' VAL . 42.8 m-20 -103.27 99.72 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 43' ' ' VAL . 14.2 t -59.38 -40.02 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.06 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.697 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.4 t -73.5 -36.38 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD22 ' CE2' ' A' ' 33' ' ' TYR . 28.7 tp -67.34 -45.96 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 39' ' ' VAL . 24.0 t -60.7 -48.32 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.25 -56.24 26.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.598 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.654 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -60.17 -29.95 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.335 . . . . 0.0 111.029 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.628 HD12 ' HG ' ' A' ' 42' ' ' LEU . 2.7 mt -66.95 -37.55 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -72.45 -44.56 62.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 45' ' ' ASP . 5.4 mt -56.02 -53.12 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.231 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -61.11 -46.25 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.164 0.507 . . . . 0.0 110.44 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.911 HG23 ' HB2' ' A' ' 55' ' ' ARG . 17.6 mm -68.35 -88.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.421 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 50' ' ' ILE . 7.0 m-20 57.54 21.88 7.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.631 ' H ' HG22 ' A' ' 50' ' ' ILE . 16.2 mm-40 -147.62 124.2 5.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 111.124 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 76.2 Cg_exo -49.44 -24.73 9.32 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.727 2.285 . . . . 0.0 112.8 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -61.62 -33.27 73.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.911 ' HB2' HG23 ' A' ' 50' ' ' ILE . 13.5 mtt85 -92.37 -8.3 45.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.007 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.6 mt -45.33 -60.15 3.59 Favored Pre-proline 0 CA--C 1.531 0.223 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 9.2 Cg_endo -52.65 -23.59 20.37 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.486 2.124 . . . . 0.0 112.403 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 62' ' ' ILE . 1.6 tt -57.48 -35.92 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -52.75 -35.03 55.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.516 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.5 m-20 -53.9 -47.32 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.127 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' CE ' ' A' ' 12' ' ' LYS . . . -72.04 -20.79 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.747 ' HA ' HD21 ' A' ' 65' ' ' LEU . 35.1 mt -74.53 -38.58 46.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -57.88 -55.11 48.45 Favored Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.569 -179.28 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.806 ' HB3' HG21 ' A' ' 5' ' ' VAL . 45.4 Cg_exo -38.72 -53.6 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.323 2.682 . . . . 0.0 114.009 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.747 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -66.73 -34.06 77.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.133 0.492 . . . . 0.0 110.7 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.655 HD11 HD21 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.51 144.63 92.19 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.005 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.64 157.56 2.34 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.769 2.313 . . . . 0.0 112.796 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -74.13 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -33.93 23.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.466 ' CB ' HG23 ' A' ' 66' ' ' ILE . 17.1 m170 -64.72 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.464 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' A' ' 66' ' ' ILE . 30.6 mt-30 -59.8 -43.18 94.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.409 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.41 -55.5 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -32.64 74.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.391 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.19 -43.17 74.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.212 0.529 . . . . 0.0 109.781 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.83 -33.93 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.426 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.27 -32.0 72.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 43' ' ' VAL . 3.3 mt -92.8 -35.55 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.2 p -103.64 92.99 4.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.11 -170.1 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.56 2.174 . . . . 0.0 112.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 mtp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.745 0.307 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.2 -47.55 19.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.96 129.2 35.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.39 -47.95 0.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 64' ' ' PRO . 11.6 t -74.76 -25.95 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.9 75.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.8 -54.79 40.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.695 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.82 -32.81 73.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.888 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.7 t80 -60.1 -52.27 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -60.77 -37.33 81.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.739 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.37 -43.96 84.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.203 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 16' ' ' LEU . 42.9 mttt -67.09 -50.74 60.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 9' ' ' PHE . 23.8 t -52.32 -48.76 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.31 -30.69 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.813 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -68.93 -50.88 45.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.857 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -82.41 -39.82 22.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.518 -179.505 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.84 HD12 HG13 ' A' ' 13' ' ' VAL . 8.3 mt -89.99 -74.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 71.89 1.49 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.883 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.553 ' H ' HG22 ' A' ' 17' ' ' ILE . 43.2 m-20 -97.82 152.71 18.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.53 -37.85 24.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.08 75.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -35.06 79.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.716 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HA ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.86 -38.53 76.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.756 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -33.67 75.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.655 ' HB3' HG21 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -67.05 -52.14 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.1 pp -62.28 -32.09 72.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.72 78.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -38.39 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.696 HG12 HD12 ' A' ' 42' ' ' LEU . 21.4 t -63.17 -53.28 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.67 -46.19 91.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.673 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.9 -36.65 70.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.3 mtp -79.85 -32.34 40.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.546 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.646 ' HB2' HD13 ' A' ' 42' ' ' LEU . 70.9 t80 -62.2 -31.2 71.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -72.14 -45.07 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.62 -42.8 57.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -77.4 -45.04 27.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mmt 61.57 58.6 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' HB3' ' A' ' 40' ' ' ALA . 9.9 t70 -141.3 105.9 4.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.0 t -60.45 -29.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . . . -59.69 -52.53 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG23 ' OD2' ' A' ' 38' ' ' ASP . 21.5 t -66.31 -36.41 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.696 HD12 HG12 ' A' ' 29' ' ' VAL . 13.3 tp -58.27 -41.71 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.5 t -60.39 -44.23 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.56 -57.02 21.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.862 ' HA ' HD12 ' A' ' 48' ' ' LEU . 5.5 m-20 -62.8 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 62' ' ' ILE . 13.6 mt -55.09 -33.98 63.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.55 -50.3 22.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.862 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.7 mt -50.03 -37.59 33.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.283 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.655 HG21 ' HB3' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -92.13 -45.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.694 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 50' ' ' ILE . 13.3 mt -90.66 24.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.681 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.0 p30 -62.29 -46.86 86.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -44.03 119.03 3.19 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HA ' HD12 ' A' ' 56' ' ' LEU . 88.5 Cg_exo -42.96 -52.31 4.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.916 2.411 . . . . 0.0 112.594 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.5 p -64.77 -21.41 66.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.925 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.585 ' NH1' HG22 ' A' ' 49' ' ' VAL . 1.3 ttt180 -89.13 -15.72 33.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.539 ' HA ' HG22 ' A' ' 50' ' ' ILE . 34.7 mt -52.03 -46.44 93.02 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.7 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -45.24 -25.65 2.05 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.497 2.131 . . . . 0.0 112.888 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -53.16 -32.28 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.248 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.37 -33.76 21.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 t0 -53.64 -49.78 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.772 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.65 -17.95 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 46' ' ' LEU . 25.3 mm -74.54 -40.09 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.595 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 6.6 mtt85 -57.45 -52.67 72.53 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.614 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.668 ' CG ' HG11 ' A' ' 5' ' ' VAL . 86.9 Cg_exo -41.48 -52.6 3.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.94 2.427 . . . . 0.0 113.159 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 61' ' ' ALA . 2.3 mp -63.82 -23.12 67.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.323 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.512 HG22 ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -75.97 143.7 74.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.078 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 66' ' ' ILE . 72.1 Cg_exo -50.1 157.87 2.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.681 2.254 . . . . 0.0 112.486 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -65.87 0.49 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -58.25 -32.67 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 11.3 m170 -63.63 -30.12 71.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.975 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 66' ' ' ILE . 23.4 mt-30 -60.77 -50.14 74.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.092 0.472 . . . . 0.0 110.406 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.55 -50.47 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.581 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.97 -32.24 73.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.424 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.714 ' O ' HG23 ' A' ' 78' ' ' THR . 58.3 t80 -58.86 -40.11 83.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.63 -32.3 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.287 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -65.07 -29.74 70.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD12 ' CG1' ' A' ' 39' ' ' VAL . 87.1 mt -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 74' ' ' TYR . 52.5 p -74.94 154.38 86.83 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 25.7 Cg_endo -62.06 -166.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.581 2.187 . . . . 0.0 112.315 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 ' HG2' ' A' ' 64' ' ' PRO . 12.9 t . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.45 -47.49 69.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.318 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -61.69 -54.74 38.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.676 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.46 -32.84 69.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.503 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.79 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.5 t80 -61.1 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.701 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.52 94.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -65.73 -46.79 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.732 ' HD3' HD11 ' A' ' 16' ' ' LEU . 1.5 tttm -57.44 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 9' ' ' PHE . 21.6 t -52.66 -45.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.28 -43.17 99.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.138 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -50.99 45.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.732 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -65.59 -53.66 38.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.32 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.765 HG22 ' H ' ' A' ' 19' ' ' ASN . 28.3 mm -71.72 -70.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 73.77 1.37 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.619 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.765 ' H ' HG22 ' A' ' 17' ' ' ILE . 23.8 m-80 -109.0 149.29 29.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.26 -46.44 16.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.64 82.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.56 -43.98 93.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.691 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -34.39 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.565 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -62.55 -46.05 90.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -66.26 -46.69 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 110.584 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.701 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -42.44 71.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.8 HG12 HD12 ' A' ' 42' ' ' LEU . 29.6 t -59.17 -43.4 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.76 -44.4 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.672 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -36.33 70.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.618 ' O ' HG23 ' A' ' 36' ' ' THR . 3.8 mmt -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.717 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.691 ' OH ' HG22 ' A' ' 39' ' ' VAL . 36.6 t80 -59.23 -30.08 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -68.15 -52.67 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -74.69 -39.85 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 32' ' ' MET . 39.8 p -74.15 -42.78 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.026 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmt 61.05 39.65 16.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -115.09 102.21 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 43' ' ' VAL . 15.2 t -66.44 -30.12 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.12 -36.3 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD12 HG12 ' A' ' 29' ' ' VAL . 2.7 tp -59.99 -50.64 72.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -62.11 -40.03 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.36 -61.4 7.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.581 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -57.45 -46.58 83.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 42' ' ' LEU . 18.1 mt -55.87 -29.8 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 15.8 mttt -74.17 -49.88 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.684 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.66 -36.56 62.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.337 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.3 p -92.29 -47.14 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.57 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.826 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.5 mt -90.82 22.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.689 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.1 m-20 -59.12 -39.06 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.361 . . . . 0.0 110.715 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.26 114.48 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.016 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.89 -29.72 2.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.789 2.326 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -67.57 -28.59 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.826 ' HB3' HG23 ' A' ' 50' ' ' ILE . 56.6 mtt-85 -88.49 -12.49 42.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.515 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 13.6 mt -49.69 -49.14 74.65 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 76.4 Cg_exo -49.35 -25.89 10.84 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.469 2.113 . . . . 0.0 112.458 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 62' ' ' ILE . 1.2 tt -58.17 -35.0 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -50.15 -30.26 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 7.2 m-20 -53.62 -51.44 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.369 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.54 -23.35 61.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.739 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 66' ' ' ILE . 34.3 mm -68.5 -36.59 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 111.474 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 13.2 mtm-85 -57.44 -59.03 14.16 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.385 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.674 ' HG2' HG11 ' A' ' 5' ' ' VAL . 72.5 Cg_exo -39.64 -50.72 3.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.175 2.584 . . . . 0.0 113.055 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.75 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 110.736 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.445 HG23 ' CB ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -74.16 145.53 83.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 73.8 Cg_exo -51.42 157.4 4.84 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.836 2.358 . . . . 0.0 112.776 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -32.19 6.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CB ' HG23 ' A' ' 66' ' ' ILE . 14.1 m170 -64.82 -35.44 81.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.661 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.74 -49.85 76.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.347 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.52 -51.8 60.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.676 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' OH ' HD13 ' A' ' 46' ' ' LEU . 2.2 t80 -56.39 -42.64 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 109.642 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.637 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -65.61 -32.63 74.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.85 -49.57 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.985 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.713 HG11 ' HG2' ' A' ' 64' ' ' PRO . 21.2 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.7 0.286 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -65.23 -53.21 47.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.614 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.53 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.611 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.786 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.2 t80 -62.95 -53.78 48.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -58.64 -42.95 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -53.35 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.301 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 12.8 ptmm? -59.02 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.414 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 9' ' ' PHE . 97.8 t -55.69 -48.54 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.51 -42.03 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -68.79 -37.03 79.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.671 HD13 HD12 ' A' ' 58' ' ' LEU . 2.0 mt -79.89 -68.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.078 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 19' ' ' ASN . 25.9 mt -73.44 -65.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.203 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 76.31 1.37 3.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.693 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.6 ' H ' HG22 ' A' ' 17' ' ' ILE . 94.7 m-20 -99.63 128.0 45.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.87 -34.25 73.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.75 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB2' HG21 ' A' ' 17' ' ' ILE . 4.8 mm-40 -64.34 -37.36 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.64 -39.92 84.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.4 -31.41 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.627 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -72.1 -46.54 56.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.77 179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 27' ' ' TYR . 4.3 pp -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.805 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -72.32 -37.68 68.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -46.92 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.612 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.919 HG12 HD12 ' A' ' 42' ' ' LEU . 25.4 t -63.42 -38.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.92 -39.61 69.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -46.81 83.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 36' ' ' THR . 13.5 mtp -74.96 -29.28 60.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.747 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.77 ' HB2' HD13 ' A' ' 42' ' ' LEU . 45.0 t80 -60.95 -37.28 81.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -47.51 71.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -51.94 12.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 32' ' ' MET . 21.9 p -67.14 -40.67 86.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.243 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.71 67.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 0.0 110.689 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HB3' HG23 ' A' ' 41' ' ' VAL . 5.1 m-20 -137.13 98.04 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.897 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.6 t -64.66 -32.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.09 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 38' ' ' ASP . 29.8 t -73.5 -36.97 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.919 HD12 HG12 ' A' ' 29' ' ' VAL . 13.2 tp -63.07 -46.54 86.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.011 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 39' ' ' VAL . 35.8 t -57.43 -39.77 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.0 -52.79 45.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.673 ' HB2' HG11 ' A' ' 29' ' ' VAL . 1.2 m-20 -62.63 -50.97 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.663 HD12 ' HG ' ' A' ' 42' ' ' LEU . 8.8 mt -57.16 -29.16 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -74.13 -52.51 12.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 45' ' ' ASP . 3.2 mt -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.259 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -90.17 -46.94 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.434 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.6 mt -92.79 23.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LYS . 10.4 p30 -58.2 -40.74 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.5 113.5 3.68 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 97.0 Cg_exo -41.82 -30.9 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.945 2.43 . . . . 0.0 112.684 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -67.66 -38.32 83.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.809 ' HB3' HG23 ' A' ' 50' ' ' ILE . 34.9 mtt-85 -76.98 -5.94 50.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.443 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 37.4 mt -51.7 -58.02 12.51 Favored Pre-proline 0 CA--C 1.53 0.202 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 2.1 Cg_endo -45.52 -27.11 3.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.759 2.306 . . . . 0.0 112.526 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.671 HD12 HD13 ' A' ' 16' ' ' LEU . 3.3 tp -56.99 -31.73 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.058 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -51.64 -30.35 21.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -53.73 -48.96 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.111 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -71.65 -21.69 61.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.453 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.644 HG22 HD12 ' A' ' 66' ' ' ILE . 25.1 mm -71.14 -35.25 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -58.37 18.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.713 ' HG2' HG11 ' A' ' 5' ' ' VAL . 64.2 Cg_exo -39.68 -48.75 3.47 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.22 2.613 . . . . 0.0 113.026 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 61' ' ' ALA . 1.5 mp -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.439 0.638 . . . . 0.0 109.818 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 62' ' ' ILE . 2.5 mt -66.56 138.57 95.65 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.663 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 52.3 Cg_exo -52.66 157.54 7.29 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.623 2.215 . . . . 0.0 112.636 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -74.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.07 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -48.93 -34.49 12.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.026 0.441 . . . . 0.0 110.569 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 12.7 m170 -66.08 -38.06 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -60.49 -44.38 96.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.369 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -59.02 -55.69 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -37.48 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.618 ' OH ' HD13 ' A' ' 46' ' ' LEU . 3.0 t80 -54.03 -40.94 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.67 -32.5 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.412 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -30.11 71.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -90.12 -37.33 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 64' ' ' PRO . 12.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.717 0.294 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -40.36 63.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -61.32 -54.71 40.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.486 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.885 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.4 t80 -66.01 -53.09 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.772 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.94 -41.82 75.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -62.62 -51.78 65.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.312 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.564 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.7 ptpt -64.99 -43.01 93.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.463 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 9' ' ' PHE . 85.3 t -53.1 -51.7 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.22 -29.66 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.93 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 58' ' ' LEU . 1.2 pp -82.01 -31.91 30.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.341 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.788 HG22 ' H ' ' A' ' 19' ' ' ASN . 26.0 mt -95.56 -80.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 1.44 3.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.754 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.788 ' H ' HG22 ' A' ' 17' ' ' ILE . 16.2 m-20 -71.72 -17.36 62.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.593 0.235 . . . . 0.0 111.271 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.13 -61.85 0.48 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.38 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.33 73.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.11 -35.61 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -67.26 -35.49 79.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.63 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.74 -33.44 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.287 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -52.52 34.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD12 ' C ' ' A' ' 26' ' ' LEU . 1.9 pp -61.13 -34.59 75.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.664 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.68 -35.27 74.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.58 -42.36 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.534 HG12 HD12 ' A' ' 42' ' ' LEU . 42.9 t -64.82 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.29 -46.79 82.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -47.03 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.726 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 36' ' ' THR . 4.0 mmm -76.19 -29.71 57.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.624 ' CG ' HD13 ' A' ' 42' ' ' LEU . 33.1 t80 -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.582 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -72.89 -41.01 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -74.88 -44.0 51.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 32' ' ' MET . 27.3 p -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt 61.53 57.32 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.535 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -128.35 96.75 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.6 t -61.05 -31.32 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.79 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.7 t -73.48 -36.63 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 33' ' ' TYR . 3.6 tp -59.59 -46.85 87.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 39' ' ' VAL . 20.0 t -60.92 -40.4 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.55 -59.23 11.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.62 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.733 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.2 t0 -59.03 -50.16 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.522 HD12 ' HG ' ' A' ' 42' ' ' LEU . 32.9 mt -55.94 -29.07 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -72.7 -47.54 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.785 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.5 mt -57.17 -37.9 72.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.28 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -86.58 -45.27 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.643 ' O ' HG22 ' A' ' 50' ' ' ILE . 30.4 mt -86.97 13.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.699 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.9 p-10 -53.16 -42.33 66.03 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.8 115.21 8.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 89.1 Cg_exo -42.72 -31.38 2.04 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.938 2.425 . . . . 0.0 112.635 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 -30.38 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.748 ' HB3' HD12 ' A' ' 58' ' ' LEU . 15.4 mtt85 -87.28 -8.92 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.492 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.467 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 20.6 mt -46.42 -48.27 46.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.0 Cg_exo -48.57 -25.1 7.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.748 HD12 ' HB3' ' A' ' 55' ' ' ARG . 20.4 mt -56.68 -42.12 78.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -49.86 -38.55 35.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 111.193 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 m-20 -53.57 -44.94 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.484 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . . . -71.91 -26.57 62.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.585 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' HA ' HD21 ' A' ' 65' ' ' LEU . 28.3 mm -66.22 -38.11 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.399 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.476 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -57.39 -59.8 11.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.317 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.636 ' HB3' HG21 ' A' ' 5' ' ' VAL . 81.5 Cg_exo -46.12 -52.9 6.49 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.833 2.355 . . . . 0.0 112.986 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 62' ' ' ILE . 3.6 pp -65.83 -14.62 61.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.582 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.435 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -93.61 142.61 25.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.712 0.292 . . . . 0.0 111.192 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.7 Cg_endo -46.46 157.48 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.189 2.593 . . . . 0.0 112.922 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -53.39 -68.68 0.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.81 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -45.32 -44.66 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 111.148 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 8.7 m170 -69.45 -27.39 65.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.275 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 29.9 mt-30 -62.17 -54.74 36.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.167 0.508 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.47 -46.09 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.529 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -37.25 86.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.45 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 2.8 t80 -56.42 -38.99 72.32 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.58 -32.48 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -29.82 70.4 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mt -92.92 -45.34 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.4 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.0 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.822 HG11 ' CG ' ' A' ' 64' ' ' PRO . 11.1 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.694 0.283 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.51 76.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -47.63 84.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 3.6 mt-10 -62.58 -40.28 96.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.455 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.5 t80 -60.16 -32.7 71.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.567 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -70.64 -52.09 23.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.352 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.444 ' CD2' ' HA ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.26 -45.31 80.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.229 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -57.34 -57.98 10.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.103 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 17' ' ' ILE . 97.6 t -52.53 -44.68 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.32 -29.3 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.003 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.97 -50.81 45.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -83.43 -45.08 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.567 -179.516 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.801 HG22 ' H ' ' A' ' 19' ' ' ASN . 18.7 mt -88.19 -73.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 74.39 1.26 3.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.77 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.801 ' H ' HG22 ' A' ' 17' ' ' ILE . 62.5 m-80 -98.36 143.49 28.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.982 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -33.86 29.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -51.21 59.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.74 -34.02 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.63 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 10.5 mtmt -69.62 -35.12 74.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.662 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -72.92 -31.14 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.468 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.7 t80 -70.8 -47.84 57.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.755 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.3 pp -65.69 -34.21 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -39.05 82.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.71 -41.55 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 25' ' ' TYR . 29.8 t -61.38 -48.67 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -55.13 -38.54 68.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 mtp -83.8 -30.05 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.716 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.709 ' CG ' HD13 ' A' ' 42' ' ' LEU . 27.3 t80 -60.15 -32.04 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.758 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -45.14 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.69 -42.36 58.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.9 p -78.63 -37.77 41.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mtt 62.9 41.07 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -107.49 98.8 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG22 ' OH ' ' A' ' 33' ' ' TYR . 23.6 t -69.21 -36.88 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.194 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.91 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.244 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.47 -36.3 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.709 HD13 ' CG ' ' A' ' 33' ' ' TYR . 7.5 tp -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.164 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -60.37 -39.52 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -55.85 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.731 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' LEU . 8.4 t0 -61.07 -37.74 83.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 111.106 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.762 HD23 HD12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.73 -33.91 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -74.01 -51.61 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.035 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.6 mt -56.4 -33.52 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.1 p -89.52 -46.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.399 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.791 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.3 mt -92.0 20.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.737 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.9 m-20 -55.09 -41.31 71.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.75 113.94 7.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.698 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.425 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 95.9 Cg_exo -41.43 -28.85 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.051 2.501 . . . . 0.0 112.946 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -67.64 -33.94 75.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . 48.8 mtt-85 -82.21 -12.21 58.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.527 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 27.1 mt -45.67 -57.79 7.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -43.58 -27.99 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.803 2.335 . . . . 0.0 112.862 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.692 HD22 HD11 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -55.21 -32.04 61.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -49.94 -36.39 27.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 m-20 -53.77 -46.35 70.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -25.48 62.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.417 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.978 HG22 HD12 ' A' ' 66' ' ' ILE . 34.3 mm -67.53 -36.14 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.369 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.438 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 7.6 mtm180 -57.28 -59.82 11.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.655 0.264 . . . . 0.0 111.047 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.822 ' CG ' HG11 ' A' ' 5' ' ' VAL . 75.3 Cg_exo -41.25 -50.57 4.36 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.068 2.512 . . . . 0.0 112.777 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD11 ' CE2' ' A' ' 9' ' ' PHE . 31.1 mt -65.99 -35.23 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 0.0 110.26 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.978 HD12 HG22 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -71.69 125.01 91.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.666 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.9 Cg_endo -48.43 157.46 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.592 2.195 . . . . 0.0 112.419 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.12 -72.25 0.05 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.64 -179.329 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -51.14 6.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 111.43 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 16.4 m170 -65.14 -27.96 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -54.41 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.061 0.458 . . . . 0.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.97 -49.49 81.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.67 -35.07 79.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE1' HG22 ' A' ' 43' ' ' VAL . 29.6 t80 -56.78 -39.85 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.71 -33.25 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.3 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.74 -34.66 78.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.835 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.08 -40.24 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.817 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.794 HG11 ' HG2' ' A' ' 64' ' ' PRO . 13.9 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.709 0.29 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.7 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -63.07 -49.23 75.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.74 -31.45 72.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.76 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.3 t80 -60.38 -47.41 86.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -67.84 -41.95 82.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -64.12 -53.28 52.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -59.33 -45.85 90.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.214 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 9' ' ' PHE . 57.4 t -52.77 -51.64 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.786 0.327 . . . . 0.0 110.72 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -62.2 -29.02 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.91 -50.79 46.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.264 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.617 HD12 HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -76.76 -56.87 4.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.23 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 19' ' ' ASN . 20.1 mt -73.29 -70.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 75.2 1.35 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.706 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.77 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.6 m-20 -96.0 137.45 35.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.31 -40.0 45.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.08 78.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.05 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.12 -34.46 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.5 mtmt -71.06 -35.76 72.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.76 -35.96 75.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 29' ' ' VAL . 17.2 t80 -66.38 -50.55 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.4 pp -63.8 -31.48 72.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.728 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -42.81 90.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.2 -37.97 86.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.723 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 25' ' ' TYR . 27.2 t -60.27 -49.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.09 -43.5 98.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.412 ' O ' HG23 ' A' ' 36' ' ' THR . 2.2 mmt -82.71 -30.6 29.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.696 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.535 ' OH ' HG22 ' A' ' 39' ' ' VAL . 35.2 t80 -61.15 -34.03 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -71.79 -44.7 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.77 -44.33 50.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 32' ' ' MET . 43.2 p -77.11 -39.35 49.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.066 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.96 55.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -121.95 96.89 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.2 t -66.35 -38.79 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.167 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.58 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.79 -36.26 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 66' ' ' ILE . 4.8 tp -61.64 -51.63 67.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.4 t -58.83 -42.43 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.312 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.13 -61.36 7.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.618 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.684 ' HA ' HD12 ' A' ' 48' ' ' LEU . 5.2 m-20 -59.51 -49.75 76.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 111.043 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.556 HD12 ' HG ' ' A' ' 42' ' ' LEU . 18.2 mt -56.65 -27.76 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mttp -73.8 -51.46 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 45' ' ' ASP . 1.7 mt -56.99 -32.36 66.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.369 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -90.11 -45.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.324 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 50' ' ' ILE . 29.5 mt -88.46 14.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.525 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.2 p30 -58.58 -38.03 77.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.766 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.2 115.43 9.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -42.72 -30.18 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.839 2.359 . . . . 0.0 112.656 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -67.71 -31.1 70.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.607 HH21 HG23 ' A' ' 17' ' ' ILE . 4.0 mtt85 -88.85 -0.71 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.518 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 17.7 mt -55.68 -49.07 94.9 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.533 0.206 . . . . 0.0 111.365 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -52.14 -23.89 18.71 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.371 2.047 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.613 HD22 HD11 ' A' ' 62' ' ' ILE . 1.3 tt -59.02 -40.26 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.156 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CE1' HD12 ' A' ' 50' ' ' ILE . 28.1 m-85 -50.2 -35.68 27.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.247 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.77 -46.25 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -71.79 -25.46 62.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.855 HG22 HD12 ' A' ' 66' ' ' ILE . 34.8 mm -68.01 -35.78 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.358 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.406 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 4.1 mtm180 -57.32 -59.64 12.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.794 ' HG2' HG11 ' A' ' 5' ' ' VAL . 66.6 Cg_exo -40.06 -51.65 3.08 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.077 2.518 . . . . 0.0 112.901 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 9' ' ' PHE . 1.9 mt -66.29 -37.36 85.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.855 HD12 HG22 ' A' ' 62' ' ' ILE . 3.7 mt -67.07 139.87 95.59 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.527 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 87.4 Cg_exo -47.28 156.1 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.649 2.233 . . . . 0.0 112.733 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.29 -45.52 72.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.373 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -79.4 -34.59 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.66 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 13.1 m-70 -67.69 -33.45 74.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.346 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.424 ' HA ' HG21 ' A' ' 66' ' ' ILE . 8.3 pt20 -67.3 -36.54 81.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.346 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.1 t -65.4 -51.88 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.526 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -38.12 81.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.372 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.661 ' CD1' HG22 ' A' ' 43' ' ' VAL . 61.0 t80 -54.26 -40.45 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.0 109.648 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.64 -34.88 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.247 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.74 -32.27 73.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.83 -34.57 39.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.653 HG11 ' HG2' ' A' ' 64' ' ' PRO . 11.6 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.775 0.321 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.84 83.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 111.211 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.41 -54.69 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.4 -30.33 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.673 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.802 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.3 t80 -60.38 -53.86 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -63.71 -40.01 95.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.27 -48.94 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.397 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.675 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -66.43 -47.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.459 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.816 HG22 HD21 ' A' ' 58' ' ' LEU . 94.4 t -52.66 -49.71 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.722 0.296 . . . . 0.0 111.225 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.92 -32.11 73.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -68.87 -50.77 46.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.45 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.994 HD11 HD23 ' A' ' 58' ' ' LEU . 1.1 pp -79.98 -30.21 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.412 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.778 HD12 HG13 ' A' ' 13' ' ' VAL . 16.8 mt -103.1 -74.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 111.331 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 73.92 1.4 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.679 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.742 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.3 m120 -98.39 121.1 39.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -33.08 74.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.43 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.593 ' OE1' HG23 ' A' ' 17' ' ' ILE . 3.1 mt-10 -65.71 -35.51 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.806 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -66.94 -35.26 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.602 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.85 -33.33 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.389 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.61 -50.03 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.576 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.0 pp -63.85 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -35.02 77.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.61 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.95 -42.19 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.983 HG12 HD12 ' A' ' 42' ' ' LEU . 21.2 t -61.01 -48.34 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.7 -40.68 92.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -56.45 -42.0 77.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.74 ' CE ' HG21 ' A' ' 36' ' ' THR . 6.1 ptm -83.07 -28.37 29.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.793 ' OH ' HG22 ' A' ' 39' ' ' VAL . 14.4 t80 -60.14 -34.51 73.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.751 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -48.18 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -74.83 -54.72 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.74 HG21 ' CE ' ' A' ' 32' ' ' MET . 70.8 p -62.93 -37.97 89.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt 61.52 34.59 17.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.548 ' CG ' HG23 ' A' ' 41' ' ' VAL . 1.3 t0 -105.03 101.86 11.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.793 HG22 ' OH ' ' A' ' 33' ' ' TYR . 22.1 t -65.18 -40.63 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.92 77.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.548 HG23 ' CG ' ' A' ' 38' ' ' ASP . 25.1 t -73.47 -43.45 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.983 HD12 HG12 ' A' ' 29' ' ' VAL . 4.0 tp -60.54 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -66.69 -40.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.68 -61.36 7.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.604 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.626 ' HA ' HD12 ' A' ' 48' ' ' LEU . 17.5 t0 -59.43 -46.91 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.6 HD12 ' HG ' ' A' ' 42' ' ' LEU . 20.1 mt -57.64 -29.41 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.1 ttpt -73.68 -44.31 57.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 45' ' ' ASP . 9.4 mt -59.71 -36.67 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -87.56 -45.55 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 50' ' ' ILE . 26.8 mt -86.54 11.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.712 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.7 m-20 -51.83 -43.35 63.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -49.6 115.72 5.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 84.7 Cg_exo -43.55 -33.92 4.84 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.806 2.337 . . . . 0.0 112.687 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -67.65 -25.58 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -89.92 0.0 57.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.655 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 78.0 mt -56.98 -45.75 99.93 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.451 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.8 Cg_exo -49.8 -25.22 11.36 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.295 1.996 . . . . 0.0 112.525 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.994 HD23 HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.78 -47.06 83.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -49.95 -37.63 32.9 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.139 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.73 -44.52 69.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.675 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . . . -71.89 -27.8 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.435 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.695 HG22 HD12 ' A' ' 66' ' ' ILE . 31.7 mm -65.54 -37.31 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.594 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.432 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -57.19 -59.76 11.73 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.653 ' HG2' HG11 ' A' ' 5' ' ' VAL . 85.5 Cg_exo -41.81 -48.72 5.82 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.048 2.498 . . . . 0.0 112.883 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 9' ' ' PHE . 36.5 mt -66.13 -33.23 75.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.147 0.499 . . . . 0.0 110.563 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.695 HD12 HG22 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -81.44 141.3 48.97 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.887 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.1 Cg_endo -46.79 157.38 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.02 2.48 . . . . 0.0 112.67 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -50.87 -70.66 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.513 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -42.32 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 25.2 m170 -68.92 -30.93 69.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.176 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 66' ' ' ILE . 40.0 mt-30 -63.14 -49.08 75.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.24 -49.88 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.14 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' HG11 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.77 -41.79 95.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.848 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 43' ' ' VAL . 38.7 t80 -53.83 -39.42 65.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.2 0.524 . . . . 0.0 109.674 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -72.75 -30.99 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.355 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.72 -30.0 70.61 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.39 -38.9 13.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.891 HG21 ' HB3' ' A' ' 64' ' ' PRO . 16.0 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.742 0.306 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.24 69.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.229 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -52.04 62.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.586 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -32.96 70.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.808 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.4 t80 -62.34 -48.5 79.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.565 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -59.21 -42.0 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -68.59 -45.33 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.772 ' HD2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.87 -55.6 24.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 58' ' ' LEU . 41.9 t -52.44 -44.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.69 -40.85 93.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.772 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -68.84 -35.92 77.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.937 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.772 HD11 ' HD2' ' A' ' 12' ' ' LYS . 2.8 mt -81.55 -66.85 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.592 HD12 ' CG1' ' A' ' 13' ' ' VAL . 23.8 mt -68.77 -60.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.252 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 75.84 1.31 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.673 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.547 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.3 t-20 -99.98 178.73 4.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.68 -39.26 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -46.84 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.59 -41.39 97.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.5 ttmt -66.68 -31.62 72.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.59 64.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.664 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -70.32 -47.15 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.817 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.485 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.3 pp -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -38.44 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.592 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.22 -42.48 96.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 25' ' ' TYR . 34.9 t -63.98 -42.21 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 65' ' ' LEU . 12.1 mt -67.34 -45.4 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.732 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -55.88 -39.19 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.5 mtp -82.8 -32.15 27.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.791 ' OH ' HG22 ' A' ' 39' ' ' VAL . 10.8 t80 -59.66 -30.27 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.57 -48.69 59.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -74.7 -42.9 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.8 p -75.7 -38.74 58.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 64.64 37.51 7.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.648 ' HB3' HG23 ' A' ' 41' ' ' VAL . 73.3 m-20 -105.92 98.98 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.791 HG22 ' OH ' ' A' ' 33' ' ' TYR . 24.5 t -61.64 -45.66 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.8 68.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.5 t -73.46 -36.34 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.741 HD22 ' CE2' ' A' ' 33' ' ' TYR . 7.0 tp -68.74 -49.76 56.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.4 t -57.22 -46.14 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.255 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.11 -53.91 36.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.774 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -59.93 -47.07 87.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 50' ' ' ILE . 13.2 mt -57.58 -33.78 68.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -42.39 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.4 mt -56.1 -53.09 61.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 25' ' ' TYR . 2.2 p -64.08 -46.06 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.286 0.565 . . . . 0.0 110.474 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.919 HD13 ' CE1' ' A' ' 59' ' ' PHE . 28.9 mt -66.53 -87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.441 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.598 ' N ' HG22 ' A' ' 50' ' ' ILE . 68.8 m-20 52.08 41.2 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.718 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 50' ' ' ILE . 43.2 mt-10 -158.8 125.95 2.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.967 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 56' ' ' LEU . 52.4 Cg_exo -54.66 -26.32 45.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 0.0 112.226 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -67.74 -30.48 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.891 ' HB2' HG23 ' A' ' 50' ' ' ILE . 8.1 mtp85 -89.37 -14.06 36.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.508 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 53' ' ' PRO . 11.2 mt -47.36 -49.78 51.87 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.386 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 66.6 Cg_exo -50.81 -25.08 14.66 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.311 2.007 . . . . 0.0 112.233 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.088 HD23 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -58.93 -38.92 80.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.919 ' CE1' HD13 ' A' ' 50' ' ' ILE . 34.3 m-85 -50.24 -35.54 27.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 t70 -53.89 -49.48 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.234 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.94 61.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.669 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.088 HD11 HD23 ' A' ' 58' ' ' LEU . 72.6 mt -68.49 -35.22 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.33 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 14.2 mtp180 -57.9 -59.31 13.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.339 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.891 ' HB3' HG21 ' A' ' 5' ' ' VAL . 64.7 Cg_exo -39.67 -52.62 2.55 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.262 2.641 . . . . 0.0 113.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.554 HD11 HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.91 -29.88 70.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.784 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.635 HD12 HG22 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -76.8 138.65 66.08 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.4 Cg_endo -49.48 157.57 2.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.724 2.283 . . . . 0.0 112.573 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.23 -71.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.532 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -43.03 -47.08 5.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.458 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 23.0 m170 -64.78 -37.29 87.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.01 89.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.473 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.5 t -59.22 -55.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' OE2' HD11 ' A' ' 77' ' ' LEU . 2.9 tt0 -61.46 -37.63 84.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -54.62 -39.93 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.19 0.519 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -32.55 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.443 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.75 -29.82 70.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD11 ' OE2' ' A' ' 73' ' ' GLU . 4.1 mt -93.75 -40.12 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.324 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.852 HG11 ' CB ' ' A' ' 64' ' ' PRO . 4.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.674 0.273 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.88 73.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.002 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -46.35 87.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.487 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -35.55 80.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 13' ' ' VAL . 40.4 t80 -60.24 -49.65 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.49 87.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.612 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -37.03 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.775 ' CD ' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -64.08 -54.65 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.813 HG22 HD11 ' A' ' 58' ' ' LEU . 33.7 t -53.16 -47.84 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.208 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -59.18 -37.66 77.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -41.51 78.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.775 HD11 ' CD ' ' A' ' 12' ' ' LYS . 1.5 mt -82.81 -67.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.642 HD12 HG13 ' A' ' 13' ' ' VAL . 19.1 mt -73.5 -65.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.252 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 76.71 1.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.53 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.636 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 8.2 t-20 -95.48 117.26 30.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -59.01 -34.1 71.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -63.81 -57.51 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -35.82 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.519 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HG2' HG11 ' A' ' 13' ' ' VAL . 4.9 mtmt -68.29 -45.09 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.688 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.572 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.62 -51.42 35.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.695 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 26' ' ' LEU . 1.1 pp -67.33 -31.74 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.801 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -39.02 85.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.582 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.62 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.959 HG12 HD12 ' A' ' 42' ' ' LEU . 31.3 t -60.2 -45.36 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.94 -47.69 82.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -37.95 69.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.793 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' THR . 11.0 mtp -79.92 -31.59 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.603 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.811 ' CE2' HD11 ' A' ' 66' ' ' ILE . 49.2 t80 -60.38 -35.07 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -63.96 -51.17 65.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -74.7 -52.54 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' MET . 27.8 p -62.99 -41.16 99.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.87 39.95 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.2 m-20 -112.57 100.68 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 43' ' ' VAL . 23.0 t -67.13 -31.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.3 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.1 t -73.26 -36.47 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.959 HD12 HG12 ' A' ' 29' ' ' VAL . 6.8 tp -64.63 -41.95 95.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 39' ' ' VAL . 37.9 t -67.5 -50.48 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.18 -46.88 93.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.6 m-20 -61.63 -44.65 96.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.33 -40.98 92.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -43.44 80.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 45' ' ' ASP . 32.6 mt -53.93 -53.04 58.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -68.83 -46.09 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.16 0.505 . . . . 0.0 110.491 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.906 HG23 ' HB2' ' A' ' 55' ' ' ARG . 84.2 mt -65.78 -85.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.486 ' N ' HG22 ' A' ' 50' ' ' ILE . 9.3 p30 45.54 39.46 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.678 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' H ' HG22 ' A' ' 50' ' ' ILE . 37.4 mt-10 -153.23 123.78 3.47 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.116 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.23 -25.58 24.05 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.527 2.151 . . . . 0.0 112.46 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.3 p -67.66 -30.8 70.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.906 ' HB2' HG23 ' A' ' 50' ' ' ILE . 21.2 mtt-85 -92.14 -7.01 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.511 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.9 mt -45.71 -55.82 11.57 Favored Pre-proline 0 CA--C 1.53 0.188 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.5 Cg_endo -46.36 -24.34 2.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.828 2.352 . . . . 0.0 112.702 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.813 HD11 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -63.73 -29.52 70.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.766 0.317 . . . . 0.0 111.04 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.895 ' HA ' HD12 ' A' ' 62' ' ' ILE . 38.8 m-85 -61.52 -51.42 68.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.719 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.9 p30 -53.56 -38.07 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.153 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 -28.59 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.377 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' A' ' 59' ' ' PHE . 18.6 mt -69.18 -35.94 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.56 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -57.17 -56.65 31.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.614 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.852 ' CB ' HG11 ' A' ' 5' ' ' VAL . 29.6 Cg_exo -36.32 -52.82 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.6 2.866 . . . . 0.0 113.909 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -65.7 -30.33 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.811 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -73.74 149.96 88.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 66' ' ' ILE . 51.8 Cg_exo -54.82 156.3 15.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.69 2.26 . . . . 0.0 112.559 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -67.83 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.61 39.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.4 -37.34 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -59.95 -47.48 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.008 0.433 . . . . 0.0 110.598 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -56.8 -52.57 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.84 -33.31 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.474 ' CE1' HG21 ' A' ' 78' ' ' THR . 7.8 t80 -54.13 -43.49 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.697 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.75 -36.34 67.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.44 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.75 -30.94 71.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' CG1' ' A' ' 39' ' ' VAL . 96.0 mt -86.92 -36.6 18.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.763 HG22 HG13 ' A' ' 43' ' ' VAL . 82.8 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.779 HG21 ' HB3' ' A' ' 64' ' ' PRO . 16.3 t . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.688 0.28 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.97 82.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -59.93 -54.8 41.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -30.46 71.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.577 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.809 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.0 t80 -61.41 -53.8 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.79 93.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -62.24 -53.26 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 8.3 ptmt -65.1 -43.07 93.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.199 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.93 HG22 HD11 ' A' ' 58' ' ' LEU . 60.8 t -52.49 -45.56 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -71.89 -30.51 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.729 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.82 -50.99 45.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.457 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.462 HD12 ' CG1' ' A' ' 17' ' ' ILE . 0.6 OUTLIER -78.76 -35.21 44.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.448 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.732 HD12 HG13 ' A' ' 13' ' ' VAL . 12.1 mt -96.61 -65.99 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.78 1.26 3.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.7 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.564 ' HB2' HG22 ' A' ' 17' ' ' ILE . 4.0 m120 -96.48 116.62 29.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.31 -34.36 70.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.31 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' CB ' HG21 ' A' ' 17' ' ' ILE . 7.4 mm-40 -67.9 -36.93 81.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -71.85 -35.6 69.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -34.56 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.74 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.0 t80 -69.08 -49.35 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.674 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.5 pp -65.24 -33.27 75.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.88 -37.32 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.86 -39.47 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.749 HG12 HD12 ' A' ' 42' ' ' LEU . 16.2 t -62.21 -46.88 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.47 -44.68 77.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -56.15 -39.83 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.911 ' O ' HG22 ' A' ' 36' ' ' THR . 0.8 OUTLIER -86.76 -28.6 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.73 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.9 t80 -58.66 -35.23 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -74.68 -55.0 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.31 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 32' ' ' MET . 5.8 t -73.02 -31.73 64.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.238 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.35 36.76 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 36' ' ' THR . 1.0 OUTLIER -102.93 96.97 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG22 ' OH ' ' A' ' 33' ' ' TYR . 15.8 t -63.69 -36.13 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.58 -37.45 78.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD12 HG12 ' A' ' 29' ' ' VAL . 26.1 tp -58.32 -47.0 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.2 t -65.5 -39.42 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.77 -61.35 7.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.634 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.475 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.1 m-20 -57.5 -53.79 54.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.994 0.425 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.645 HD13 ' OH ' ' A' ' 74' ' ' TYR . 51.2 mt -50.76 -28.24 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.727 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 12.7 ttmt -74.12 -44.34 54.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.27 -32.22 66.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.566 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -96.48 -30.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.613 ' O ' HG22 ' A' ' 50' ' ' ILE . 16.2 mt -108.37 25.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -75.44 -6.66 51.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 111.205 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 4.0 mt-10 -97.45 116.71 65.91 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.477 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 73.4 Cg_exo -37.73 -29.7 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.41 2.74 . . . . 0.0 113.318 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' NH1' HG23 ' A' ' 17' ' ' ILE . 4.3 mtt-85 -92.16 3.02 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.921 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.44 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 10.7 mt -53.9 -49.73 87.85 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.562 0.22 . . . . 0.0 111.238 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 71.4 Cg_exo -48.89 -25.59 8.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.151 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 13' ' ' VAL . 58.6 tp -55.62 -42.22 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.195 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.452 ' HA ' HD12 ' A' ' 62' ' ' ILE . 32.0 m-85 -50.15 -33.79 20.13 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -53.69 -49.67 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 9' ' ' PHE . . . -71.89 -27.46 62.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.778 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 59' ' ' PHE . 59.9 mt -67.75 -30.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.438 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.427 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 3.4 mtp180 -63.01 -59.38 12.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.205 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.779 ' HB3' HG21 ' A' ' 5' ' ' VAL . 72.6 Cg_exo -41.84 -52.59 3.85 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.076 2.517 . . . . 0.0 113.108 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.1 pp -65.5 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.336 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -87.9 141.81 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.82 157.2 13.28 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 112.215 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -66.67 0.35 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -46.81 29.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.471 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 8.3 m170 -65.23 -29.89 70.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.948 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.405 ' CG ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -62.12 -54.13 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.143 0.497 . . . . 0.0 110.626 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -57.66 -48.51 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -39.82 94.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 46' ' ' LEU . 29.1 t80 -54.05 -39.86 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -72.58 -32.1 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -65.76 -30.32 70.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 39' ' ' VAL . 18.0 mt -88.85 -45.61 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.052 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 74' ' ' TYR . 69.7 p . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.848 HG21 ' HB3' ' A' ' 64' ' ' PRO . 20.6 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.715 0.293 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.65 83.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.0 ttt-85 -62.45 -47.5 83.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.247 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.94 -30.37 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.379 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 31.1 t80 -62.89 -50.14 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.45 -45.52 93.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -63.63 -53.22 54.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.889 ' HE2' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.256 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.628 HG23 ' HD2' ' A' ' 12' ' ' LYS . 4.0 t -55.34 -43.49 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.811 0.338 . . . . 0.0 110.799 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.58 -34.06 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.97 -50.88 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.263 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -71.88 -52.19 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.733 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -71.13 -70.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.94 1.38 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.778 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.733 ' H ' HG22 ' A' ' 17' ' ' ILE . 68.9 m-20 -111.79 165.54 11.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.813 0.339 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.56 -41.54 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.93 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.032 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.84 -45.02 93.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -59.15 -38.67 80.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.501 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.71 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -65.33 -44.83 86.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.702 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -65.03 -45.5 85.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.06 -35.02 77.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -45.82 83.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.72 HG12 HD12 ' A' ' 42' ' ' LEU . 12.2 t -61.23 -47.64 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 65' ' ' LEU . 5.5 mt -63.01 -49.31 75.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.89 -41.28 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' THR . 38.5 mtp -77.59 -31.44 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.59 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE2' HD22 ' A' ' 42' ' ' LEU . 22.2 t80 -62.34 -31.57 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -70.77 -47.04 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -74.54 -37.74 62.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.039 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 32' ' ' MET . 69.5 p -78.77 -42.42 28.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.31 45.25 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -128.65 104.27 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.5 t -58.35 -30.38 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.201 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.36 96.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -73.54 -36.3 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.721 ' HG ' HD12 ' A' ' 46' ' ' LEU . 12.2 tp -63.83 -52.27 60.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.1 t -62.69 -39.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.26 -61.29 7.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' LEU . 57.4 m-20 -59.45 -51.73 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.754 HD13 ' OH ' ' A' ' 74' ' ' TYR . 15.3 mt -54.94 -28.55 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HE2' HG12 ' A' ' 43' ' ' VAL . 6.8 mtmt -73.99 -52.45 12.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.796 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.0 mt -53.94 -33.24 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.293 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.08 -45.37 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.415 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.638 ' O ' HG22 ' A' ' 50' ' ' ILE . 12.6 mt -91.34 20.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.8 m-20 -61.36 -38.4 86.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.931 0.396 . . . . 0.0 110.679 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 3.0 mm-40 -52.11 115.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 91.7 Cg_exo -42.88 -30.64 1.88 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.852 2.368 . . . . 0.0 112.714 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -67.69 -30.32 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HB3' HG23 ' A' ' 50' ' ' ILE . 58.2 mtt85 -89.74 -0.44 57.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.515 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 18.8 mt -55.98 -47.75 98.14 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.25 -23.88 19.25 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 0.0 112.536 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.913 HD22 HD11 ' A' ' 62' ' ' ILE . 1.2 tt -55.63 -45.34 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.323 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.861 ' HA ' HD12 ' A' ' 62' ' ' ILE . 51.7 m-85 -50.2 -30.23 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.529 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 t0 -53.84 -56.82 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.329 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -71.67 -18.67 62.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.926 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.913 HD11 HD22 ' A' ' 58' ' ' LEU . 65.8 mt -74.49 -30.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.549 0.214 . . . . 0.0 111.555 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.533 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 2.6 mtt180 -65.36 -54.33 32.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.303 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.848 ' HB3' HG21 ' A' ' 5' ' ' VAL . 84.8 Cg_exo -42.05 -52.45 4.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.946 2.431 . . . . 0.0 113.391 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 30' ' ' LEU . 1.4 pp -65.52 -22.34 66.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.399 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -82.2 149.12 61.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.874 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 66' ' ' ILE . 74.1 Cg_exo -50.25 157.43 3.08 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.676 2.251 . . . . 0.0 112.666 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 ' HD2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -50.3 -72.48 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.001 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HD2' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -51.33 -32.35 25.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.992 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -65.68 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.424 ' CG ' HG22 ' A' ' 66' ' ' ILE . 4.9 mt-30 -60.02 -51.61 68.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.006 0.431 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.25 -50.58 76.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.032 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.14 -38.94 93.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.754 ' OH ' HD13 ' A' ' 46' ' ' LEU . 5.9 t80 -54.05 -40.38 67.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -31.7 65.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -65.7 -30.46 71.15 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD13 HG21 ' A' ' 43' ' ' VAL . 11.9 mt -90.6 -40.28 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.126 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 64' ' ' PRO . 23.3 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -67.92 -54.32 19.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.745 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.41 -33.28 69.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.665 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.909 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.3 t80 -64.12 -52.59 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.662 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -61.42 -53.36 57.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 1.1 ptmt -61.2 -41.54 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.964 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 9' ' ' PHE . 89.2 t -52.5 -51.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.738 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -32.94 74.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.229 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -40.43 79.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.799 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 22' ' ' GLU . 26.8 mt -71.38 -66.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 75.97 1.15 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.677 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.711 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.7 t-20 -96.92 130.26 44.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -68.49 -33.1 73.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.34 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.714 ' HB2' HG21 ' A' ' 17' ' ' ILE . 3.1 mm-40 -64.08 -39.54 94.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.21 -31.2 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.742 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.97 -32.3 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -69.62 -49.09 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.736 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.3 pp -65.61 -33.57 76.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -36.74 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.631 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -68.87 -37.72 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.985 HG12 HD12 ' A' ' 42' ' ' LEU . 28.2 t -65.23 -45.97 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.04 -45.55 88.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -39.26 75.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.28 -30.44 30.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.703 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.592 ' CG ' HD13 ' A' ' 42' ' ' LEU . 39.1 t80 -61.46 -32.17 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.1 -44.05 63.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.75 -41.66 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 p -78.71 -41.2 31.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.015 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm 64.02 40.2 7.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.52 106.16 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.6 t -63.39 -33.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.9 89.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -73.44 -37.96 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.985 HD12 HG12 ' A' ' 29' ' ' VAL . 11.1 tp -62.85 -52.25 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 39' ' ' VAL . 23.2 t -62.49 -39.37 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.38 -61.16 7.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.647 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.804 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.6 m-20 -61.36 -47.38 86.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.991 0.424 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 46' ' ' LEU . 17.3 mt -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ASN . 17.7 ttmt -74.01 -45.49 49.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 45' ' ' ASP . 6.2 mt -56.76 -37.13 70.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.32 -45.01 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.306 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 50' ' ' ILE . 23.5 mt -87.6 15.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.646 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.3 p30 -55.67 -41.56 73.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.903 0.382 . . . . 0.0 110.949 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -49.84 114.84 4.56 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 96.8 Cg_exo -41.44 -30.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.949 2.433 . . . . 0.0 112.763 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -38.17 83.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HB3' HG23 ' A' ' 50' ' ' ILE . 70.2 mtt180 -78.9 -3.75 46.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.599 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 28.5 mt -53.19 -58.86 10.76 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.2 Cg_endo -48.64 -24.75 7.04 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.712 2.275 . . . . 0.0 112.575 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.26 -38.47 71.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 62' ' ' ILE . 24.4 m-85 -51.25 -30.71 18.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 14.3 m-20 -53.83 -49.25 68.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.185 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.442 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -72.35 -18.98 61.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.039 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.5 mt -74.38 -43.16 49.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.47 -51.82 78.86 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.053 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.751 ' HB2' HG11 ' A' ' 5' ' ' VAL . 56.2 Cg_exo -38.53 -53.7 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.138 2.559 . . . . 0.0 114.204 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.34 -28.7 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.171 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -69.86 151.33 96.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 66' ' ' ILE . 71.8 Cg_exo -49.79 157.35 2.62 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.802 2.335 . . . . 0.0 112.617 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.069 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -30.69 9.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -67.13 -36.18 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.624 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.98 -51.98 67.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.092 0.472 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.23 -48.55 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.87 -38.54 89.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.754 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -53.94 -40.83 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.22 0.533 . . . . 0.0 109.749 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -72.71 -33.64 66.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.515 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.77 -27.89 68.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.58 -40.5 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.8 p . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.735 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.876 HG11 ' CB ' ' A' ' 64' ' ' PRO . 16.3 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.07 -39.63 72.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.43 -54.68 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.424 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -34.28 76.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.298 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.668 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.3 t80 -60.1 -52.31 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -57.43 -42.01 81.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -69.11 -36.79 77.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.683 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HD2' HD11 ' A' ' 16' ' ' LEU . 1.1 tmtp? -67.53 -58.82 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.668 HG21 ' CE1' ' A' ' 9' ' ' PHE . 36.1 t -52.57 -43.24 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.05 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -41.81 77.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.928 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.76 HD11 ' HD2' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -76.45 -65.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.667 HG22 ' H ' ' A' ' 19' ' ' ASN . 25.3 mt -77.54 -68.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.227 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.54 1.32 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.667 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.2 m120 -94.14 162.49 13.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -93.43 -38.13 11.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.85 64.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' CB ' HG21 ' A' ' 17' ' ' ILE . 4.9 mp0 -58.19 -44.4 88.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.679 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -58.32 -40.1 81.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.07 -37.1 86.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.484 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -62.31 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -61.22 -47.67 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.388 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.6 -35.38 70.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.3 -40.3 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.783 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.943 HG12 HD12 ' A' ' 42' ' ' LEU . 20.3 t -61.94 -43.42 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -60.0 -37.17 78.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 36' ' ' THR . 2.0 mmt -85.02 -30.88 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.641 ' CG ' HD13 ' A' ' 42' ' ' LEU . 24.6 t80 -61.96 -33.76 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.0 -43.8 56.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -39.65 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 32' ' ' MET . 43.2 p -78.81 -41.14 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.24 61.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -150.05 107.58 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.3 t -58.84 -34.73 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.06 81.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 38' ' ' ASP . 23.7 t -73.45 -36.39 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.943 HD12 HG12 ' A' ' 29' ' ' VAL . 19.3 tp -58.98 -52.2 66.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.092 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.8 t -59.76 -39.62 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.83 -59.07 11.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.554 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.651 ' HA ' HD12 ' A' ' 48' ' ' LEU . 7.4 m-20 -59.2 -49.53 77.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.621 HD12 ' HG ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.54 -32.56 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -73.5 -42.07 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 45' ' ' ASP . 15.1 mt -56.69 -53.12 61.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 25' ' ' TYR . 2.5 p -62.01 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.629 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' A' ' 55' ' ' ARG . 72.8 mt -62.03 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.667 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.474 ' N ' HG22 ' A' ' 50' ' ' ILE . 9.9 m-20 51.93 26.36 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.948 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.623 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.9 mm-40 -145.88 121.04 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.896 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -50.99 -25.23 15.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.357 2.038 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -27.72 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.879 ' HB2' HG23 ' A' ' 50' ' ' ILE . 18.8 mtt-85 -92.16 -7.28 48.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.616 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 9.4 mt -49.54 -50.42 66.13 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-O 120.583 0.23 . . . . 0.0 111.33 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.2 Cg_exo -50.49 -24.42 12.35 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.409 2.073 . . . . 0.0 112.518 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.074 HD23 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -54.99 -43.15 73.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 62' ' ' ILE . 20.1 m-85 -50.13 -30.48 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.114 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.7 t70 -53.83 -52.77 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.81 -22.72 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.766 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.074 HD11 HD23 ' A' ' 58' ' ' LEU . 65.2 mt -71.51 -30.34 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 111.552 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 24.0 mtm-85 -64.98 -56.65 19.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.568 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.876 ' CB ' HG11 ' A' ' 5' ' ' VAL . 63.4 Cg_exo -39.99 -53.02 2.6 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.18 2.587 . . . . 0.0 113.532 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.09 -31.22 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 179.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.655 HD12 HG22 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -76.96 135.82 66.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.728 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 6.5 Cg_endo -49.59 157.49 2.31 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.783 2.322 . . . . 0.0 112.639 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.37 -70.44 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.546 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.94 -49.68 5.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.965 0.412 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.9 m170 -67.47 -30.1 69.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.716 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -54.03 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 110.247 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.5 -47.9 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -65.5 -36.93 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.604 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.665 ' O ' HG23 ' A' ' 78' ' ' THR . 49.8 t80 -54.37 -42.54 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -31.66 65.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.12 71.96 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.441 HD12 HG12 ' A' ' 39' ' ' VAL . 15.7 mt -89.94 -45.25 9.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 74' ' ' TYR . 62.7 p . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' ' 64' ' ' PRO . 15.3 t . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.677 0.275 . . . . 0.0 111.36 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.56 84.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -65.21 -54.49 28.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -33.54 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.9 t80 -60.49 -50.31 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.504 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.21 -45.31 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -66.23 -40.21 90.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.808 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.28 -58.55 8.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 58' ' ' LEU . 59.8 t -52.44 -46.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.39 -40.67 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.677 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -44.72 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.808 HD11 ' HD3' ' A' ' 12' ' ' LYS . 1.6 mt -72.58 -67.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 19' ' ' ASN . 21.7 mt -77.86 -67.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.194 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 76.05 1.06 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.69 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.63 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-80 -94.99 114.4 26.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.33 -36.14 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.12 -56.13 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.92 -35.09 74.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 3.7 mtmp? -66.93 -34.81 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.69 64.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.342 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.88 -49.06 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.569 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 26' ' ' LEU . 3.2 pp -64.64 -33.87 76.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.53 -34.05 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.587 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.58 -45.43 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG12 HD12 ' A' ' 42' ' ' LEU . 45.3 t -64.69 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.42 -46.03 91.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -57.71 -45.69 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' THR . 0.1 OUTLIER -71.92 -31.85 66.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.577 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.791 ' CE2' HD22 ' A' ' 42' ' ' LEU . 13.8 t80 -61.4 -34.61 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -48.45 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -74.88 -44.34 49.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' MET . 35.0 p -72.53 -33.87 67.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt 60.76 51.32 4.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.66 96.27 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.899 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.4 t -68.42 -44.89 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.01 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.2 t -73.48 -37.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.791 HD22 ' CE2' ' A' ' 33' ' ' TYR . 6.5 tp -64.57 -45.04 88.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.1 t -61.16 -44.93 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 48' ' ' LEU . . . -57.88 -61.63 7.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.75 -50.47 68.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.82 0.343 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.89 -27.5 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.96 -52.79 11.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.794 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 44' ' ' GLY . 1.1 mt -54.02 -34.43 59.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.77 -45.24 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.246 -179.677 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 55' ' ' ARG . 17.5 mt -90.89 20.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.541 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.8 p30 -57.56 -39.91 77.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -50.03 113.44 3.44 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.44 -30.77 2.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.794 2.329 . . . . 0.0 112.712 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -67.68 -30.78 70.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.714 ' HB3' HG23 ' A' ' 50' ' ' ILE . 78.7 mtt180 -84.62 -14.09 49.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.468 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 26.2 mt -46.68 -58.58 6.57 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.4 Cg_endo -44.42 -27.54 2.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.8 2.334 . . . . 0.0 112.703 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.62 ' CD2' HD11 ' A' ' 62' ' ' ILE . 7.2 tt -56.65 -41.02 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.59 ' HA ' HD12 ' A' ' 62' ' ' ILE . 25.3 m-85 -50.22 -30.09 10.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 74.0 m-20 -53.54 -51.72 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.69 -18.35 62.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.695 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' A' ' 58' ' ' LEU . 35.1 mt -74.41 -34.67 36.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.66 0.267 . . . . 0.0 111.556 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.3 ttp180 -60.39 -56.74 32.33 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.229 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.757 ' HB2' HG11 ' A' ' 5' ' ' VAL . 92.1 Cg_exo -45.7 -52.71 6.49 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.862 2.375 . . . . 0.0 112.791 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.0 pp -65.87 -15.57 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.387 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.493 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -82.26 158.68 66.33 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.683 0.278 . . . . 0.0 111.2 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 51.0 Cg_exo -55.48 157.51 14.87 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.772 2.314 . . . . 0.0 112.531 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -51.76 -68.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.04 -36.16 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.447 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.8 m170 -63.68 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.064 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.493 ' CG ' HG22 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -60.24 -56.18 24.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.163 0.506 . . . . 0.0 110.568 179.78 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.08 -46.46 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.59 -41.1 96.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -53.96 -39.58 66.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.174 0.511 . . . . 0.0 109.642 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.79 -31.64 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.44 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -65.63 -32.76 74.51 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.83 -38.58 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.621 HG11 ' CG ' ' A' ' 64' ' ' PRO . 9.5 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.32 -46.1 83.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.331 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -54.79 41.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.72 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.78 -30.4 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.402 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.942 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.2 t80 -63.97 -54.03 40.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -57.12 -45.05 83.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -57.82 -52.98 63.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HE3' ' HB2' ' A' ' 61' ' ' ALA . 4.2 ptpt -62.54 -31.51 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 9' ' ' PHE . 88.6 t -60.75 -51.56 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.672 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.96 -33.82 74.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.2 mt -84.47 -71.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.667 HG23 HH12 ' A' ' 55' ' ' ARG . 19.2 mm -56.69 -58.36 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 77.3 -4.22 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -111.94 169.06 9.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.766 0.317 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 13.9 t0 -102.68 -41.9 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.55 86.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.31 -50.86 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -59.67 -32.49 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -31.56 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.756 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -67.69 -41.27 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.617 HD22 HG11 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -67.77 -45.99 73.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.482 179.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -63.74 -34.29 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.09 -45.15 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 25' ' ' TYR . 28.8 t -60.3 -43.04 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.52 -46.08 91.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -56.51 -40.8 75.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.64 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.57 -30.86 47.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.536 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.784 ' OH ' HG22 ' A' ' 39' ' ' VAL . 16.3 t80 -61.54 -31.73 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.615 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.25 -44.12 69.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -40.84 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.7 p -78.69 -37.01 42.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 mmt 61.64 30.94 18.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.552 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -103.7 97.56 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.784 HG22 ' OH ' ' A' ' 33' ' ' TYR . 14.8 t -65.14 -38.96 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.43 81.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.4 t -73.25 -36.4 49.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.711 HD22 ' CD2' ' A' ' 33' ' ' TYR . 50.3 tp -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.6 t -65.63 -39.93 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.187 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.53 -57.09 20.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.707 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.4 t0 -59.99 -45.54 92.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.491 HD12 ' HG ' ' A' ' 42' ' ' LEU . 20.9 mt -58.26 -29.52 65.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.3 tptt -74.05 -52.75 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 0.0 110.987 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.5 mt -53.94 -33.98 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.418 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG11 HD22 ' A' ' 26' ' ' LEU . 1.6 p -92.1 -47.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 0.0 111.544 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.765 HG23 ' HB3' ' A' ' 55' ' ' ARG . 7.9 mt -90.54 21.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.652 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 m-20 -58.64 -41.3 85.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.31 115.5 7.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 56' ' ' LEU . 85.1 Cg_exo -43.2 -30.09 2.03 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.925 2.417 . . . . 0.0 112.73 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 m -67.73 -29.95 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HB3' HG23 ' A' ' 50' ' ' ILE . 70.1 mtt-85 -88.88 -8.52 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.586 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 53' ' ' PRO . 12.8 mt -53.19 -49.94 85.06 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-O 120.475 0.178 . . . . 0.0 111.421 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 68.6 Cg_exo -50.8 -24.87 14.2 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.461 2.107 . . . . 0.0 112.359 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.66 -31.86 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -50.02 -35.71 25.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.957 0.408 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -53.77 -48.86 69.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.859 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -18.42 62.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.771 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 66' ' ' ILE . 35.7 mm -74.47 -38.35 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.475 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.614 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -57.32 -53.64 63.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.29 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.621 ' CG ' HG11 ' A' ' 5' ' ' VAL . 82.7 Cg_exo -40.77 -51.41 3.63 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.883 2.389 . . . . 0.0 112.814 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.92 -36.89 84.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.173 0.511 . . . . 0.0 110.211 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.747 HD12 HG22 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -67.23 121.54 78.94 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.761 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.0 Cg_endo -48.59 157.75 1.35 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -49.82 -68.47 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.414 -179.321 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -44.93 -45.66 10.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 111.218 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 21.5 m170 -66.46 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.534 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.55 85.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.82 -52.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.647 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -38.1 89.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.786 ' O ' HG23 ' A' ' 78' ' ' THR . 27.4 t80 -54.75 -39.21 68.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.6 -33.38 66.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.378 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.63 -29.3 69.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mt -88.54 -42.22 12.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 74' ' ' TYR . 34.8 p . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.807 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.648 HG11 ' CG ' ' A' ' 64' ' ' PRO . 10.7 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.787 0.327 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.17 92.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -63.79 -54.67 31.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.96 -30.72 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.7 t80 -62.0 -53.98 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.68 -38.11 86.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -63.77 -48.37 77.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.343 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.699 ' HE3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -69.4 -34.38 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.575 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.043 HG22 HD11 ' A' ' 58' ' ' LEU . 97.7 t -61.07 -50.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -36.73 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -68.77 -44.52 73.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 HD13 ' A' ' 58' ' ' LEU . 2.2 pp -84.87 -22.14 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.601 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.786 HG22 ' H ' ' A' ' 19' ' ' ASN . 22.4 mt -111.37 -81.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 0.0 111.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 72.57 1.42 3.98 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.716 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.786 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.7 m120 -71.73 -19.78 61.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.669 0.271 . . . . 0.0 111.28 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.31 -61.91 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 111.065 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.25 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HB2' HG21 ' A' ' 17' ' ' ILE . 5.0 mm-40 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HA ' HD21 ' A' ' 26' ' ' LEU . 4.6 mtmp? -63.6 -43.42 96.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -36.34 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 110.015 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.56 -57.08 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.314 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 23' ' ' LYS . 3.0 pp -59.56 -28.9 67.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -69.19 -37.32 78.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -43.17 76.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.751 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.862 HG12 HD12 ' A' ' 42' ' ' LEU . 38.8 t -60.74 -43.21 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.37 -51.67 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -37.51 75.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mtp -80.16 -30.71 38.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.638 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.673 ' CG ' HD13 ' A' ' 42' ' ' LEU . 29.7 t80 -62.27 -35.79 80.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -73.17 -39.44 65.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -74.81 -46.34 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -78.78 -39.77 35.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 mtp 65.68 46.31 2.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' HB3' HG23 ' A' ' 41' ' ' VAL . 7.9 m-20 -118.09 102.48 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.3 t -63.72 -39.55 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.29 91.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 38' ' ' ASP . 30.8 t -71.52 -36.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.9 HD21 HD11 ' A' ' 66' ' ' ILE . 8.3 tp -62.14 -50.83 70.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 39' ' ' VAL . 32.1 t -56.62 -44.25 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.91 -56.06 26.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.788 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.675 ' HA ' HD12 ' A' ' 48' ' ' LEU . 59.7 m-20 -58.3 -55.54 33.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.099 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.662 HD23 ' CD1' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -53.04 -26.8 16.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' ASN . 16.1 tttm -73.83 -50.38 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.5 mt -57.35 -33.19 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -89.04 -45.35 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.353 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.662 ' CD1' HD23 ' A' ' 46' ' ' LEU . 30.6 mt -88.39 14.3 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.506 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.5 p-10 -55.49 -39.06 69.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 114.07 7.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -42.11 -30.55 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.948 2.432 . . . . 0.0 112.755 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -30.99 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 50' ' ' ILE . 17.2 mtt85 -88.67 -3.0 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.654 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 16.0 mt -53.39 -49.13 89.96 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 120.456 0.169 . . . . 0.0 111.341 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 52.9 Cg_exo -54.76 -24.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.344 2.029 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.043 HD11 HG22 ' A' ' 13' ' ' VAL . 15.3 tp -58.26 -34.56 70.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -50.04 -37.94 35.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 21.2 t70 -53.76 -45.18 70.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.722 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.7 -26.56 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.415 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.649 HG22 HD12 ' A' ' 66' ' ' ILE . 34.4 mm -67.13 -34.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.225 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 4.2 mtm180 -57.24 -59.47 12.67 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CG ' HG11 ' A' ' 5' ' ' VAL . 65.1 Cg_exo -38.36 -48.41 2.43 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.305 2.67 . . . . 0.0 112.935 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -41.54 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.187 0.517 . . . . 0.0 110.119 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.9 HD11 HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -62.68 141.36 97.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.601 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.09 157.48 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.617 2.211 . . . . 0.0 112.729 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -72.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.62 54.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CB ' HG23 ' A' ' 66' ' ' ILE . 16.8 m170 -62.7 -36.63 83.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -60.18 -45.27 93.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.059 0.457 . . . . 0.0 110.423 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.4 t -58.93 -53.27 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.685 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -63.18 -37.99 89.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.3 t80 -54.06 -39.66 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.117 0.484 . . . . 0.0 109.744 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.69 -34.24 67.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.283 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.61 -29.87 70.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -88.36 -28.45 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.866 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.798 HG11 ' CB ' ' A' ' 64' ' ' PRO . 13.6 t . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.712 0.291 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.38 80.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.203 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -50.56 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.23 -35.82 76.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 13' ' ' VAL . 24.2 t80 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -46.5 88.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -65.61 -41.81 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.654 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.701 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.23 -58.91 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 9' ' ' PHE . 33.1 t -53.04 -41.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.412 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.78 -40.04 72.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.87 -38.07 79.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.701 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -82.06 -56.7 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 19' ' ' ASN . 29.5 mm -68.31 -67.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 75.92 1.36 3.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.551 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.692 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 t-20 -111.94 171.47 7.48 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.39 -36.87 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.03 16.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -59.56 -39.27 83.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HG2' HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -67.52 -30.65 70.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.87 -31.95 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.356 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.875 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -69.53 -49.4 54.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.586 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.4 pp -66.31 -34.84 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.796 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.0 -37.15 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -70.27 -36.54 74.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 25' ' ' TYR . 15.6 t -62.72 -49.3 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 62' ' ' ILE . 11.5 mt -62.47 -43.95 97.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -36.19 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 36' ' ' THR . 10.8 mmt -79.32 -35.78 40.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.781 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.597 ' HH ' ' CG ' ' A' ' 70' ' ' HIS . 50.6 t80 -58.85 -36.29 74.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -61.51 -53.6 54.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -74.76 -54.48 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 32' ' ' MET . 22.2 p -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.072 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.94 60.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -137.56 108.64 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.2 t -65.42 -39.28 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.88 83.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.46 -36.39 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD21 HD11 ' A' ' 66' ' ' ILE . 31.9 tp -66.98 -52.09 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.654 HG22 ' CE1' ' A' ' 74' ' ' TYR . 31.9 t -65.84 -46.36 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.35 -52.13 53.48 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.645 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.772 ' HA ' HD12 ' A' ' 48' ' ' LEU . 3.7 t0 -63.4 -48.12 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 111.001 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.607 HD13 ' OH ' ' A' ' 74' ' ' TYR . 3.4 mt -56.95 -34.38 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -42.46 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 45' ' ' ASP . 13.9 mt -56.47 -53.09 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.983 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -65.75 -45.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.215 0.531 . . . . 0.0 110.566 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' A' ' 55' ' ' ARG . 81.2 mt -68.05 -86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.679 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.533 ' N ' HG22 ' A' ' 50' ' ' ILE . 1.1 m-80 52.51 33.93 14.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.62 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.635 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.3 mt-10 -148.27 121.6 4.7 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.967 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' HD12 ' A' ' 56' ' ' LEU . 56.0 Cg_exo -51.77 -25.07 19.78 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.501 2.134 . . . . 0.0 112.307 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.4 p -67.77 -29.13 68.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.842 ' HB2' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -92.05 -17.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.322 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 53' ' ' PRO . 8.6 mt -43.08 -50.39 14.23 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.501 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 68.1 Cg_exo -50.78 -25.15 14.72 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.436 2.09 . . . . 0.0 112.312 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 62' ' ' ILE . 6.0 tt -56.28 -43.79 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.636 ' HA ' HD12 ' A' ' 62' ' ' ILE . 43.3 m-85 -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 t70 -53.34 -51.7 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -21.13 61.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 58' ' ' LEU . 51.5 mt -72.12 -30.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.437 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -56.95 18.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.545 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.798 ' CB ' HG11 ' A' ' 5' ' ' VAL . 67.9 Cg_exo -40.64 -53.19 2.87 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.188 2.592 . . . . 0.0 113.399 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.361 0.601 . . . . 0.0 110.045 179.351 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 HD21 ' A' ' 42' ' ' LEU . 3.3 mt -66.76 140.28 96.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.85 155.05 0.6 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.731 2.287 . . . . 0.0 112.759 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -74.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -46.89 -36.94 8.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.222 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CG ' ' HH ' ' A' ' 33' ' ' TYR . 29.4 m170 -64.9 -38.51 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.87 -45.65 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.05 0.452 . . . . 0.0 110.643 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.93 -53.2 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.016 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -38.6 91.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.654 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.6 t80 -53.89 -40.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.15 0.5 . . . . 0.0 109.753 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.79 -32.78 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.536 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -31.54 72.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.04 -33.9 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.65 HG11 ' HG2' ' A' ' 64' ' ' PRO . 6.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.712 0.291 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.02 -47.58 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.34 33.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.404 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.14 -32.26 69.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.403 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.676 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 14.1 t80 -60.21 -53.05 62.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -57.33 -43.25 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -66.97 -41.96 85.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.836 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -61.8 -58.87 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.988 HG22 HD21 ' A' ' 58' ' ' LEU . 26.7 t -52.69 -43.74 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.04 -41.54 99.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -50.77 47.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.836 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -66.46 -66.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.76 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.757 HG22 ' H ' ' A' ' 19' ' ' ASN . 30.7 mt -71.14 -70.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.163 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 73.93 1.26 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.727 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.757 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.2 t30 -97.99 124.09 42.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.832 0.348 . . . . 0.0 110.955 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -60.23 -39.45 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.78 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.012 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.88 -38.5 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 26' ' ' LEU . 13.3 mtmt -65.26 -33.98 77.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.8 -31.67 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.798 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.3 t80 -68.93 -48.14 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.7 pp -65.81 -37.01 85.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -34.37 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.2 -40.4 78.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.967 HG12 HD12 ' A' ' 42' ' ' LEU . 21.5 t -61.89 -49.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.747 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.82 -37.79 83.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -64.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -31.27 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.598 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CG ' HD13 ' A' ' 42' ' ' LEU . 21.1 t80 -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.682 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -39.57 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -74.8 -45.76 41.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.2 p -78.64 -37.59 41.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.1 mmt 62.06 54.57 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.414 ' HB3' HG23 ' A' ' 41' ' ' VAL . 1.9 t0 -128.06 99.44 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.542 HG22 ' OH ' ' A' ' 33' ' ' TYR . 21.3 t -59.9 -30.71 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.64 93.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 38' ' ' ASP . 22.5 t -73.51 -36.39 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.967 HD12 HG12 ' A' ' 29' ' ' VAL . 8.8 tp -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -55.79 -44.68 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.088 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.447 ' N ' ' CG1' ' A' ' 43' ' ' VAL . . . -58.01 -59.01 11.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.579 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.517 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -61.18 -42.49 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.26 -33.09 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -73.98 -50.55 19.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.721 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 45' ' ' ASP . 22.6 mt -49.97 -38.39 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.408 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.43 -46.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.474 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 50' ' ' ILE . 8.6 mt -89.95 24.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.598 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LYS . 16.5 p30 -57.01 -43.09 81.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.811 0.339 . . . . 0.0 111.037 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.9 116.59 2.42 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.446 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.601 ' HA ' HD12 ' A' ' 56' ' ' LEU . 80.8 Cg_exo -44.23 -50.31 7.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.906 2.404 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -19.79 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.052 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.757 HH21 HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -86.44 -19.79 29.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.265 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 53' ' ' PRO . 14.9 mt -51.26 -48.97 84.35 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.566 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.485 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 83.4 Cg_exo -45.17 -28.5 3.52 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.547 2.164 . . . . 0.0 112.653 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.988 HD21 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -60.39 -29.9 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -50.16 -31.94 14.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 5.1 t70 -53.74 -47.62 70.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -72.37 -19.55 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD13 ' HE2' ' A' ' 9' ' ' PHE . 31.3 mm -73.09 -43.25 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.66 -52.77 71.04 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.4 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HG2' HG11 ' A' ' 5' ' ' VAL . 75.1 Cg_exo -39.46 -52.2 2.54 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.972 2.448 . . . . 0.0 113.017 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.64 -30.67 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.488 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.92 152.48 95.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 50.6 Cg_exo -53.35 157.68 8.64 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.09 -72.17 0.05 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -30.21 49.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 10.2 m170 -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.88 -50.53 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.046 0.451 . . . . 0.0 110.569 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 t -58.95 -48.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.88 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -67.14 -37.19 83.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -53.93 -43.69 70.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.173 0.511 . . . . 0.0 109.767 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.75 -31.17 64.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.484 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -65.58 -32.75 74.5 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.01 -35.51 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.907 HG11 ' CB ' ' A' ' 64' ' ' PRO . 2.7 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.693 0.283 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.84 70.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -54.81 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.427 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -59.3 -33.09 70.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.461 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.19 -53.81 53.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -39.49 73.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -35.39 70.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.692 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.28 -58.71 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.034 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.647 HG13 HD11 ' A' ' 58' ' ' LEU . 46.9 t -54.43 -46.22 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -57.92 -44.34 86.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.92 -36.5 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.692 HD11 ' HD3' ' A' ' 12' ' ' LYS . 26.7 mt -78.93 -73.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 19' ' ' ASN . 28.8 mt -73.27 -66.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.206 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 76.41 1.36 3.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.578 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.645 ' H ' HG22 ' A' ' 17' ' ' ILE . 21.9 m-20 -92.05 118.63 30.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.836 0.35 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -59.38 -35.18 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.96 76.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -63.72 -34.14 77.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.804 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -69.82 -33.7 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -72.78 -33.69 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -69.68 -50.08 47.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.548 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.543 HD12 ' C ' ' A' ' 26' ' ' LEU . 3.1 pp -64.52 -31.99 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.4 m-85 -69.92 -37.68 75.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -42.59 89.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 HD12 ' A' ' 42' ' ' LEU . 29.2 t -62.89 -44.11 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.64 -45.42 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -55.48 -38.39 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mtp -81.24 -28.36 34.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.622 ' CG ' HD13 ' A' ' 42' ' ' LEU . 66.5 t80 -66.75 -27.0 67.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -52.46 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.403 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -36.06 62.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.59 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.3 p -78.54 -44.53 24.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.351 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt 64.39 43.07 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -111.13 98.1 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.6 t -62.25 -40.58 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.85 75.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.005 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.48 -36.39 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' A' ' 33' ' ' TYR . 12.5 tp -62.02 -50.58 71.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.3 t -57.24 -39.58 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.287 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.84 -59.14 10.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -63.36 -30.7 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD13 ' OH ' ' A' ' 74' ' ' TYR . 5.5 mt -58.51 -50.31 74.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -69.69 -35.43 75.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 45' ' ' ASP . 62.0 mt -56.02 -53.11 60.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -65.91 -46.65 87.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.109 0.481 . . . . 0.0 110.566 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.868 HG23 ' HB2' ' A' ' 55' ' ' ARG . 34.3 mm -62.92 -86.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.611 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.16 18.15 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.738 ' H ' HG22 ' A' ' 50' ' ' ILE . 4.0 mm-40 -141.43 119.43 7.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.643 0.258 . . . . 0.0 111.022 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.09 -23.87 13.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.589 2.192 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -67.54 -27.3 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.868 ' HB2' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -92.08 -12.99 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.488 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 8.0 mt -44.37 -50.71 21.81 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 51.6 Cg_exo -53.68 -23.53 26.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.232 1.955 . . . . 0.0 112.309 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.647 HD11 HG13 ' A' ' 13' ' ' VAL . 3.6 tt -60.72 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.577 ' HA ' HD12 ' A' ' 62' ' ' ILE . 32.2 m-85 -50.3 -33.93 21.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 m-20 -53.78 -47.89 70.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -18.81 61.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.838 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 59' ' ' PHE . 42.6 mt -73.74 -42.98 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.46 -52.07 76.98 Favored Pre-proline 0 N--CA 1.468 0.457 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.907 ' CB ' HG11 ' A' ' 5' ' ' VAL . 68.5 Cg_exo -40.46 -53.53 2.64 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.085 2.524 . . . . 0.0 114.252 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -66.05 -21.44 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.285 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -77.74 151.18 79.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 66' ' ' ILE . 88.4 Cg_exo -48.55 157.39 1.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.86 2.373 . . . . 0.0 112.764 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.59 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.023 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -46.22 -33.45 3.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.449 ' CG ' ' HH ' ' A' ' 33' ' ' TYR . 28.5 m170 -68.21 -35.91 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' CG ' HG22 ' A' ' 66' ' ' ILE . 4.8 mt-30 -60.66 -47.46 86.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.33 -54.76 29.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.3 -37.76 86.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.493 ' OH ' HD13 ' A' ' 46' ' ' LEU . 21.1 t80 -54.01 -41.2 67.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.184 0.516 . . . . 0.0 109.719 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.68 -31.8 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.487 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 39' ' ' VAL . 8.4 mt -90.41 -31.34 16.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.806 HG21 ' HB3' ' A' ' 64' ' ' PRO . 6.5 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.822 0.344 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.1 -42.23 80.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -67.86 -45.83 73.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.686 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.7 -30.22 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.802 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.2 t80 -65.67 -52.56 50.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.72 -42.14 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -69.5 -47.3 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.547 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.56 -33.55 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 0.0 111.182 -179.492 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 9' ' ' PHE . 61.1 t -65.87 -50.51 69.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -34.15 73.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.74 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -73.15 -66.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.637 HG22 ' H ' ' A' ' 19' ' ' ASN . 20.7 mt -73.76 -70.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 74.63 1.26 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.759 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -97.76 123.72 41.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -62.99 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -43.34 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -65.71 -39.93 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -67.12 -35.35 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.679 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.41 -35.33 77.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.239 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -67.21 -52.39 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.586 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 27' ' ' TYR . 4.3 pp -62.52 -30.2 71.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.623 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.771 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -67.27 -41.43 85.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 110.506 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.551 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 25' ' ' TYR . 21.8 t -60.18 -46.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.51 -45.01 89.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -58.37 -38.83 78.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.571 ' O ' HG23 ' A' ' 36' ' ' THR . 4.6 mtp -79.19 -31.75 43.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.761 ' CE2' HD22 ' A' ' 42' ' ' LEU . 28.2 t80 -64.09 -30.1 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.817 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.14 -47.69 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.78 -37.37 62.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.0 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 32' ' ' MET . 68.4 p -78.64 -40.51 34.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.13 30.49 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.697 ' HB3' HG23 ' A' ' 41' ' ' VAL . 42.8 m-20 -103.27 99.72 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 43' ' ' VAL . 14.2 t -59.38 -40.02 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.06 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.697 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.4 t -73.5 -36.38 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD22 ' CE2' ' A' ' 33' ' ' TYR . 28.7 tp -67.34 -45.96 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 39' ' ' VAL . 24.0 t -60.7 -48.32 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.25 -56.24 26.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.598 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.654 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -60.17 -29.95 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.335 . . . . 0.0 111.029 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.628 HD12 ' HG ' ' A' ' 42' ' ' LEU . 2.7 mt -66.95 -37.55 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -72.45 -44.56 62.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 45' ' ' ASP . 5.4 mt -56.02 -53.12 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.231 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -61.11 -46.25 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.164 0.507 . . . . 0.0 110.44 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.911 HG23 ' HB2' ' A' ' 55' ' ' ARG . 17.6 mm -68.35 -88.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.421 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 50' ' ' ILE . 7.0 m-20 57.54 21.88 7.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.631 ' H ' HG22 ' A' ' 50' ' ' ILE . 16.2 mm-40 -147.62 124.2 5.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 111.124 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 76.2 Cg_exo -49.44 -24.73 9.32 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.727 2.285 . . . . 0.0 112.8 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -61.62 -33.27 73.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.911 ' HB2' HG23 ' A' ' 50' ' ' ILE . 13.5 mtt85 -92.37 -8.3 45.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.007 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.6 mt -45.33 -60.15 3.59 Favored Pre-proline 0 CA--C 1.531 0.223 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 9.2 Cg_endo -52.65 -23.59 20.37 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.486 2.124 . . . . 0.0 112.403 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 62' ' ' ILE . 1.6 tt -57.48 -35.92 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -52.75 -35.03 55.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.516 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.5 m-20 -53.9 -47.32 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.127 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' CE ' ' A' ' 12' ' ' LYS . . . -72.04 -20.79 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.747 ' HA ' HD21 ' A' ' 65' ' ' LEU . 35.1 mt -74.53 -38.58 46.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -57.88 -55.11 48.45 Favored Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.569 -179.28 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.806 ' HB3' HG21 ' A' ' 5' ' ' VAL . 45.4 Cg_exo -38.72 -53.6 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.323 2.682 . . . . 0.0 114.009 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.747 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -66.73 -34.06 77.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.133 0.492 . . . . 0.0 110.7 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.655 HD11 HD21 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.51 144.63 92.19 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.005 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.64 157.56 2.34 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.769 2.313 . . . . 0.0 112.796 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -74.13 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -33.93 23.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.466 ' CB ' HG23 ' A' ' 66' ' ' ILE . 17.1 m170 -64.72 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.464 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' A' ' 66' ' ' ILE . 30.6 mt-30 -59.8 -43.18 94.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.409 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.41 -55.5 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -32.64 74.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.391 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.19 -43.17 74.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.212 0.529 . . . . 0.0 109.781 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.83 -33.93 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.426 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.27 -32.0 72.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 43' ' ' VAL . 3.3 mt -92.8 -35.55 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 64' ' ' PRO . 11.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.9 75.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.8 -54.79 40.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.695 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.82 -32.81 73.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.888 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.7 t80 -60.1 -52.27 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -60.77 -37.33 81.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.739 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.37 -43.96 84.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.203 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 16' ' ' LEU . 42.9 mttt -67.09 -50.74 60.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 9' ' ' PHE . 23.8 t -52.32 -48.76 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.31 -30.69 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.813 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -68.93 -50.88 45.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.857 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -82.41 -39.82 22.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.518 -179.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.84 HD12 HG13 ' A' ' 13' ' ' VAL . 8.3 mt -89.99 -74.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 71.89 1.49 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.883 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.553 ' H ' HG22 ' A' ' 17' ' ' ILE . 43.2 m-20 -97.82 152.71 18.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.53 -37.85 24.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.08 75.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -35.06 79.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.716 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HA ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.86 -38.53 76.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.756 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -33.67 75.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.655 ' HB3' HG21 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -67.05 -52.14 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.1 pp -62.28 -32.09 72.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.72 78.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -38.39 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.696 HG12 HD12 ' A' ' 42' ' ' LEU . 21.4 t -63.17 -53.28 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.67 -46.19 91.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.673 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.9 -36.65 70.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.3 mtp -79.85 -32.34 40.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.546 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.646 ' HB2' HD13 ' A' ' 42' ' ' LEU . 70.9 t80 -62.2 -31.2 71.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -72.14 -45.07 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.62 -42.8 57.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -77.4 -45.04 27.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mmt 61.57 58.6 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' HB3' ' A' ' 40' ' ' ALA . 9.9 t70 -141.3 105.9 4.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.0 t -60.45 -29.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . . . -59.69 -52.53 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.587 HG23 ' OD2' ' A' ' 38' ' ' ASP . 21.5 t -66.31 -36.41 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.696 HD12 HG12 ' A' ' 29' ' ' VAL . 13.3 tp -58.27 -41.71 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.5 t -60.39 -44.23 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.56 -57.02 21.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.862 ' HA ' HD12 ' A' ' 48' ' ' LEU . 5.5 m-20 -62.8 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 62' ' ' ILE . 13.6 mt -55.09 -33.98 63.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.55 -50.3 22.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.862 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.7 mt -50.03 -37.59 33.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.283 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.655 HG21 ' HB3' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -92.13 -45.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.694 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 50' ' ' ILE . 13.3 mt -90.66 24.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.681 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.0 p30 -62.29 -46.86 86.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -44.03 119.03 3.19 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HA ' HD12 ' A' ' 56' ' ' LEU . 88.5 Cg_exo -42.96 -52.31 4.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.916 2.411 . . . . 0.0 112.594 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.5 p -64.77 -21.41 66.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.925 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.585 ' NH1' HG22 ' A' ' 49' ' ' VAL . 1.3 ttt180 -89.13 -15.72 33.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.539 ' HA ' HG22 ' A' ' 50' ' ' ILE . 34.7 mt -52.03 -46.44 93.02 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.7 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -45.24 -25.65 2.05 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.497 2.131 . . . . 0.0 112.888 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -53.16 -32.28 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.248 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.37 -33.76 21.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 t0 -53.64 -49.78 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.772 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.65 -17.95 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 46' ' ' LEU . 25.3 mm -74.54 -40.09 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.595 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 6.6 mtt85 -57.45 -52.67 72.53 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.614 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.668 ' CG ' HG11 ' A' ' 5' ' ' VAL . 86.9 Cg_exo -41.48 -52.6 3.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.94 2.427 . . . . 0.0 113.159 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 61' ' ' ALA . 2.3 mp -63.82 -23.12 67.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.323 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.512 HG22 ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -75.97 143.7 74.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.078 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 66' ' ' ILE . 72.1 Cg_exo -50.1 157.87 2.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.681 2.254 . . . . 0.0 112.486 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -65.87 0.49 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -58.25 -32.67 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 11.3 m170 -63.63 -30.12 71.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.975 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 66' ' ' ILE . 23.4 mt-30 -60.77 -50.14 74.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.092 0.472 . . . . 0.0 110.406 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.55 -50.47 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.581 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.97 -32.24 73.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.424 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.714 ' O ' HG23 ' A' ' 78' ' ' THR . 58.3 t80 -58.86 -40.11 83.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.63 -32.3 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.287 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -65.07 -29.74 70.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.439 HD12 ' CG1' ' A' ' 39' ' ' VAL . 87.1 mt -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 74' ' ' TYR . 52.5 p . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptt? . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.706 0.288 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 p30 -72.74 -177.62 2.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.96 -23.81 12.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.27 -58.15 0.54 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 ' HG2' ' A' ' 64' ' ' PRO . 12.9 t -56.36 -26.01 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.45 -47.49 69.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.318 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -61.69 -54.74 38.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.676 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.46 -32.84 69.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.503 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.79 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.5 t80 -61.1 -48.47 81.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.701 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.52 94.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.831 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -65.73 -46.79 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.732 ' HD3' HD11 ' A' ' 16' ' ' LEU . 1.5 tttm -57.44 -58.9 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 9' ' ' PHE . 21.6 t -52.66 -45.05 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.28 -43.17 99.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.138 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.87 -50.99 45.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.732 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -65.59 -53.66 38.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.32 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.765 HG22 ' H ' ' A' ' 19' ' ' ASN . 28.3 mm -71.72 -70.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 73.77 1.37 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.619 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.765 ' H ' HG22 ' A' ' 17' ' ' ILE . 23.8 m-80 -109.0 149.29 29.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -80.26 -46.44 16.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.64 82.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -59.56 -43.98 93.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -41.86 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.691 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -64.97 -34.39 78.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.565 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -62.55 -46.05 90.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.688 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -66.26 -46.69 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 110.584 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.701 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -42.44 71.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.8 HG12 HD12 ' A' ' 42' ' ' LEU . 29.6 t -59.17 -43.4 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.5 mt -68.76 -44.4 73.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.672 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.11 -36.33 70.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.618 ' O ' HG23 ' A' ' 36' ' ' THR . 3.8 mmt -83.52 -34.86 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.717 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.691 ' OH ' HG22 ' A' ' 39' ' ' VAL . 36.6 t80 -59.23 -30.08 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -68.15 -52.67 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -74.69 -39.85 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.034 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 32' ' ' MET . 39.8 p -74.15 -42.78 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.026 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.9 mmt 61.05 39.65 16.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -115.09 102.21 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 43' ' ' VAL . 15.2 t -66.44 -30.12 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.12 -36.3 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD12 HG12 ' A' ' 29' ' ' VAL . 2.7 tp -59.99 -50.64 72.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -62.11 -40.03 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.36 -61.4 7.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.581 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -57.45 -46.58 83.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 42' ' ' LEU . 18.1 mt -55.87 -29.8 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 15.8 mttt -74.17 -49.88 21.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.684 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.66 -36.56 62.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.337 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.3 p -92.29 -47.14 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.57 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.826 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.5 mt -90.82 22.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.689 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.1 m-20 -59.12 -39.06 81.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.857 0.361 . . . . 0.0 110.715 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -53.26 114.48 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.016 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.89 -29.72 2.69 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.789 2.326 . . . . 0.0 112.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -67.57 -28.59 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.826 ' HB3' HG23 ' A' ' 50' ' ' ILE . 56.6 mtt-85 -88.49 -12.49 42.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.515 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 13.6 mt -49.69 -49.14 74.65 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 76.4 Cg_exo -49.35 -25.89 10.84 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.469 2.113 . . . . 0.0 112.458 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' ' 62' ' ' ILE . 1.2 tt -58.17 -35.0 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -50.15 -30.26 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 7.2 m-20 -53.62 -51.44 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.369 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.54 -23.35 61.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.739 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 66' ' ' ILE . 34.3 mm -68.5 -36.59 75.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 111.474 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 13.2 mtm-85 -57.44 -59.03 14.16 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.385 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.674 ' HG2' HG11 ' A' ' 5' ' ' VAL . 72.5 Cg_exo -39.64 -50.72 3.05 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.175 2.584 . . . . 0.0 113.055 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.75 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 110.736 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.445 HG23 ' CB ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -74.16 145.53 83.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.899 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 73.8 Cg_exo -51.42 157.4 4.84 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.836 2.358 . . . . 0.0 112.776 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -74.71 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -32.19 6.36 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' CB ' HG23 ' A' ' 66' ' ' ILE . 14.1 m170 -64.82 -35.44 81.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.661 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.74 -49.85 76.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.347 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.52 -51.8 60.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.676 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -31.73 73.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' OH ' HD13 ' A' ' 46' ' ' LEU . 2.2 t80 -56.39 -42.64 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 109.642 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.637 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -65.61 -32.63 74.31 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.199 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.85 -49.57 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 p -66.34 111.39 6.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.84 -168.16 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.427 2.085 . . . . 0.0 112.384 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.78 0.324 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -138.55 169.31 18.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -92.93 -170.19 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -38.17 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.067 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.713 HG11 ' HG2' ' A' ' 64' ' ' PRO . 21.2 t -74.92 -29.83 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -65.23 -53.21 47.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.614 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.53 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.611 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.786 ' O ' HG23 ' A' ' 13' ' ' VAL . 20.2 t80 -62.95 -53.78 48.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -58.64 -42.95 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -53.35 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.301 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 12.8 ptmm? -59.02 -46.85 87.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.414 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 9' ' ' PHE . 97.8 t -55.69 -48.54 77.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.51 -42.03 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -68.79 -37.03 79.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.671 HD13 HD12 ' A' ' 58' ' ' LEU . 2.0 mt -79.89 -68.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.078 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 19' ' ' ASN . 25.9 mt -73.44 -65.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.203 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 76.31 1.37 3.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.693 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.6 ' H ' HG22 ' A' ' 17' ' ' ILE . 94.7 m-20 -99.63 128.0 45.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.87 -34.25 73.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -40.75 87.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB2' HG21 ' A' ' 17' ' ' ILE . 4.8 mm-40 -64.34 -37.36 87.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.874 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -67.64 -39.92 84.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.726 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.4 -31.41 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.371 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.627 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -72.1 -46.54 56.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.77 179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.805 HD12 ' N ' ' A' ' 27' ' ' TYR . 4.3 pp -69.36 -30.57 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.805 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -72.32 -37.68 68.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 179.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -46.92 75.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.612 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.919 HG12 HD12 ' A' ' 42' ' ' LEU . 25.4 t -63.42 -38.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.7 mt -71.92 -39.61 69.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.814 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -46.81 83.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.758 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 36' ' ' THR . 13.5 mtp -74.96 -29.28 60.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.747 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.77 ' HB2' HD13 ' A' ' 42' ' ' LEU . 45.0 t80 -60.95 -37.28 81.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -47.51 71.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -51.94 12.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 32' ' ' MET . 21.9 p -67.14 -40.67 86.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.243 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.71 67.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.046 0.45 . . . . 0.0 110.689 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HB3' HG23 ' A' ' 41' ' ' VAL . 5.1 m-20 -137.13 98.04 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.897 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.6 t -64.66 -32.42 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.09 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 38' ' ' ASP . 29.8 t -73.5 -36.97 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.919 HD12 HG12 ' A' ' 29' ' ' VAL . 13.2 tp -63.07 -46.54 86.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.011 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 39' ' ' VAL . 35.8 t -57.43 -39.77 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.0 -52.79 45.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.673 ' HB2' HG11 ' A' ' 29' ' ' VAL . 1.2 m-20 -62.63 -50.97 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 0.0 110.704 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.663 HD12 ' HG ' ' A' ' 42' ' ' LEU . 8.8 mt -57.16 -29.16 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -74.13 -52.51 12.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 45' ' ' ASP . 3.2 mt -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.259 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -90.17 -46.94 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.434 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.809 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.6 mt -92.79 23.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LYS . 10.4 p30 -58.2 -40.74 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 110.908 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.5 113.5 3.68 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.438 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 97.0 Cg_exo -41.82 -30.9 1.23 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.945 2.43 . . . . 0.0 112.684 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -67.66 -38.32 83.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.809 ' HB3' HG23 ' A' ' 50' ' ' ILE . 34.9 mtt-85 -76.98 -5.94 50.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.443 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 37.4 mt -51.7 -58.02 12.51 Favored Pre-proline 0 CA--C 1.53 0.202 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 2.1 Cg_endo -45.52 -27.11 3.22 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.759 2.306 . . . . 0.0 112.526 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.671 HD12 HD13 ' A' ' 16' ' ' LEU . 3.3 tp -56.99 -31.73 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.058 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -51.64 -30.35 21.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -53.73 -48.96 69.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.111 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -71.65 -21.69 61.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.453 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.644 HG22 HD12 ' A' ' 66' ' ' ILE . 25.1 mm -71.14 -35.25 57.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -58.37 18.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.713 ' HG2' HG11 ' A' ' 5' ' ' VAL . 64.2 Cg_exo -39.68 -48.75 3.47 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.22 2.613 . . . . 0.0 113.026 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 61' ' ' ALA . 1.5 mp -66.38 -38.52 87.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.439 0.638 . . . . 0.0 109.818 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 62' ' ' ILE . 2.5 mt -66.56 138.57 95.65 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.663 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 52.3 Cg_exo -52.66 157.54 7.29 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.623 2.215 . . . . 0.0 112.636 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -74.21 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.07 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -48.93 -34.49 12.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.026 0.441 . . . . 0.0 110.569 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 12.7 m170 -66.08 -38.06 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -60.49 -44.38 96.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.369 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -59.02 -55.69 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -37.48 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.618 ' OH ' HD13 ' A' ' 46' ' ' LEU . 3.0 t80 -54.03 -40.94 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.67 -32.5 65.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.412 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -30.11 71.33 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -90.12 -37.33 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 11.2 p -83.99 158.06 62.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 30.4 Cg_endo -63.61 139.46 69.97 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.617 2.211 . . . . 0.0 112.232 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.812 0.339 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -96.7 128.81 44.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -79.68 177.37 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.22 -49.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.756 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 64' ' ' PRO . 12.1 t -61.86 -26.03 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.087 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -40.36 63.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.315 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -61.32 -54.71 40.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.125 0.488 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.01 -30.43 70.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.486 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.885 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.4 t80 -66.01 -53.09 43.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.772 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -55.94 -41.82 75.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -62.62 -51.78 65.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.312 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.564 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.7 ptpt -64.99 -43.01 93.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.463 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 9' ' ' PHE . 85.3 t -53.1 -51.7 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.22 -29.66 68.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -68.93 -49.07 61.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.257 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 58' ' ' LEU . 1.2 pp -82.01 -31.91 30.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.341 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.788 HG22 ' H ' ' A' ' 19' ' ' ASN . 26.0 mt -95.56 -80.9 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 1.44 3.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.754 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.788 ' H ' HG22 ' A' ' 17' ' ' ILE . 16.2 m-20 -71.72 -17.36 62.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.593 0.235 . . . . 0.0 111.271 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.13 -61.85 0.48 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.38 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.92 -37.33 73.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.11 -35.61 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.7 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -67.26 -35.49 79.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.63 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.74 -33.44 66.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.287 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.01 -52.52 34.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.507 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD12 ' C ' ' A' ' 26' ' ' LEU . 1.9 pp -61.13 -34.59 75.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.664 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.68 -35.27 74.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.58 -42.36 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.534 HG12 HD12 ' A' ' 42' ' ' LEU . 42.9 t -64.82 -45.2 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.29 -46.79 82.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -47.03 78.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.726 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.487 ' O ' HG23 ' A' ' 36' ' ' THR . 4.0 mmm -76.19 -29.71 57.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.624 ' CG ' HD13 ' A' ' 42' ' ' LEU . 33.1 t80 -59.85 -33.25 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.582 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -72.89 -41.01 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -74.88 -44.0 51.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 32' ' ' MET . 27.3 p -78.69 -38.13 39.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.8 mmt 61.53 57.32 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.535 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -128.35 96.75 4.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.6 t -61.05 -31.32 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.79 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.7 t -73.48 -36.63 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.086 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 33' ' ' TYR . 3.6 tp -59.59 -46.85 87.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 39' ' ' VAL . 20.0 t -60.92 -40.4 85.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.55 -59.23 11.18 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.62 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.733 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.2 t0 -59.03 -50.16 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.522 HD12 ' HG ' ' A' ' 42' ' ' LEU . 32.9 mt -55.94 -29.07 59.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.3 OUTLIER -72.7 -47.54 46.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.785 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.5 mt -57.17 -37.9 72.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.28 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -86.58 -45.27 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.643 ' O ' HG22 ' A' ' 50' ' ' ILE . 30.4 mt -86.97 13.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.699 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.9 p-10 -53.16 -42.33 66.03 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.902 0.382 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.8 115.21 8.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 89.1 Cg_exo -42.72 -31.38 2.04 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.938 2.425 . . . . 0.0 112.635 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -67.6 -30.38 69.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.748 ' HB3' HD12 ' A' ' 58' ' ' LEU . 15.4 mtt85 -87.28 -8.92 56.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.492 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.467 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 20.6 mt -46.42 -48.27 46.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.467 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.0 Cg_exo -48.57 -25.1 7.31 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.946 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.748 HD12 ' HB3' ' A' ' 55' ' ' ARG . 20.4 mt -56.68 -42.12 78.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -49.86 -38.55 35.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 111.193 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 m-20 -53.57 -44.94 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.484 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . . . -71.91 -26.57 62.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.585 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' HA ' HD21 ' A' ' 65' ' ' LEU . 28.3 mm -66.22 -38.11 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.399 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.476 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -57.39 -59.8 11.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.317 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.636 ' HB3' HG21 ' A' ' 5' ' ' VAL . 81.5 Cg_exo -46.12 -52.9 6.49 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.833 2.355 . . . . 0.0 112.986 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 62' ' ' ILE . 3.6 pp -65.83 -14.62 61.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.582 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.435 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -93.61 142.61 25.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-O 120.712 0.292 . . . . 0.0 111.192 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.7 Cg_endo -46.46 157.48 0.45 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.189 2.593 . . . . 0.0 112.922 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -53.39 -68.68 0.15 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.81 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -45.32 -44.66 11.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 111.148 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.546 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 8.7 m170 -69.45 -27.39 65.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.275 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 29.9 mt-30 -62.17 -54.74 36.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.167 0.508 . . . . 0.0 109.933 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.47 -46.09 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.529 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -37.25 86.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.45 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' HIS . 2.8 t80 -56.42 -38.99 72.32 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.58 -32.48 66.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.372 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -29.82 70.4 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mt -92.92 -45.34 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.4 p -76.87 112.03 19.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.47 102.84 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.399 2.066 . . . . 0.0 112.264 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.02 30.92 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -99.88 77.1 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.05 -47.92 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.822 HG11 ' CG ' ' A' ' 64' ' ' PRO . 11.1 t -70.61 -26.11 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.182 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.51 76.6 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -47.63 84.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HA ' ' CD2' ' A' ' 11' ' ' HIS . 3.6 mt-10 -62.58 -40.28 96.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.455 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.5 t80 -60.16 -32.7 71.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.567 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -70.64 -52.09 23.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.352 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' CD2' ' HA ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -66.26 -45.31 80.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.229 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -57.34 -57.98 10.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.103 -179.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 17' ' ' ILE . 97.6 t -52.53 -44.68 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.32 -29.3 68.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.003 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.97 -50.81 45.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -83.43 -45.08 14.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.567 -179.516 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.801 HG22 ' H ' ' A' ' 19' ' ' ASN . 18.7 mt -88.19 -73.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 74.39 1.26 3.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.77 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.801 ' H ' HG22 ' A' ' 17' ' ' ILE . 62.5 m-80 -98.36 143.49 28.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.982 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 -33.86 29.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.37 -51.21 59.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.74 -34.02 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.63 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 10.5 mtmt -69.62 -35.12 74.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.662 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -72.92 -31.14 64.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.468 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.7 t80 -70.8 -47.84 57.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.755 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.3 pp -65.69 -34.21 77.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.2 -39.05 82.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.534 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.71 -41.55 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 25' ' ' TYR . 29.8 t -61.38 -48.67 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.88 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.41 -47.46 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -55.13 -38.54 68.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 mtp -83.8 -30.05 26.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.716 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.709 ' CG ' HD13 ' A' ' 42' ' ' LEU . 27.3 t80 -60.15 -32.04 70.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.758 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -45.14 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.69 -42.36 58.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.9 p -78.63 -37.77 41.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mtt 62.9 41.07 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -107.49 98.8 8.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG22 ' OH ' ' A' ' 33' ' ' TYR . 23.6 t -69.21 -36.88 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.194 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -46.91 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.244 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.1 t -73.47 -36.3 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.21 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.709 HD13 ' CG ' ' A' ' 33' ' ' TYR . 7.5 tp -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.164 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -60.37 -39.52 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.247 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -55.85 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.731 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' LEU . 8.4 t0 -61.07 -37.74 83.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 111.106 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.762 HD23 HD12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -61.73 -33.91 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -74.01 -51.61 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.035 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.6 mt -56.4 -33.52 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 1.1 p -89.52 -46.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.399 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.791 HG23 ' HB3' ' A' ' 55' ' ' ARG . 6.3 mt -92.0 20.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.737 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.9 m-20 -55.09 -41.31 71.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.552 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.75 113.94 7.4 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.698 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.425 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 95.9 Cg_exo -41.43 -28.85 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.051 2.501 . . . . 0.0 112.946 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -67.64 -33.94 75.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . 48.8 mtt-85 -82.21 -12.21 58.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.527 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 27.1 mt -45.67 -57.79 7.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -43.58 -27.99 1.61 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.803 2.335 . . . . 0.0 112.862 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.692 HD22 HD11 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -55.21 -32.04 61.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -49.94 -36.39 27.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.1 m-20 -53.77 -46.35 70.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -25.48 62.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.417 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.978 HG22 HD12 ' A' ' 66' ' ' ILE . 34.3 mm -67.53 -36.14 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.369 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 7.6 mtm180 -57.28 -59.82 11.61 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.655 0.264 . . . . 0.0 111.047 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.822 ' CG ' HG11 ' A' ' 5' ' ' VAL . 75.3 Cg_exo -41.25 -50.57 4.36 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.068 2.512 . . . . 0.0 112.777 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD11 ' CE2' ' A' ' 9' ' ' PHE . 31.1 mt -65.99 -35.23 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 0.0 110.26 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.978 HD12 HG22 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -71.69 125.01 91.75 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.666 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 3.9 Cg_endo -48.43 157.46 1.35 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.592 2.195 . . . . 0.0 112.419 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.12 -72.25 0.05 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.64 -179.329 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -51.14 6.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.895 0.379 . . . . 0.0 111.43 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 16.4 m170 -65.14 -27.96 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -54.41 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.061 0.458 . . . . 0.0 110.297 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.97 -49.49 81.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.784 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.67 -35.07 79.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE1' HG22 ' A' ' 43' ' ' VAL . 29.6 t80 -56.78 -39.85 74.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.71 -33.25 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.3 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -65.74 -34.66 78.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.835 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 mt -81.08 -40.24 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.5 p -77.61 156.11 80.81 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.817 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.14 89.99 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.578 2.186 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.015 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.0 mtm . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.771 0.32 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -104.58 150.62 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.09 174.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -132.15 -43.51 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.794 HG11 ' HG2' ' A' ' 64' ' ' PRO . 13.9 t -55.7 -28.32 23.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.5 -47.7 82.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -63.07 -49.23 75.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.74 -31.45 72.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.76 ' O ' HG23 ' A' ' 13' ' ' VAL . 8.3 t80 -60.38 -47.41 86.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -67.84 -41.95 82.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.946 0.403 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -64.12 -53.28 52.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -59.33 -45.85 90.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.214 -179.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 9' ' ' PHE . 57.4 t -52.77 -51.64 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.786 0.327 . . . . 0.0 110.72 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -62.2 -29.02 70.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.729 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.91 -50.79 46.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.264 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.617 HD12 HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -76.76 -56.87 4.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.23 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 19' ' ' ASN . 20.1 mt -73.29 -70.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 75.2 1.35 3.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.706 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.77 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.6 m-20 -96.0 137.45 35.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.899 0.38 . . . . 0.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.31 -40.0 45.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.93 -45.08 78.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.05 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.12 -34.46 77.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.5 mtmt -71.06 -35.76 72.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.76 -35.96 75.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 29' ' ' VAL . 17.2 t80 -66.38 -50.55 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.4 pp -63.8 -31.48 72.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.728 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -42.81 90.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.2 -37.97 86.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.723 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 25' ' ' TYR . 27.2 t -60.27 -49.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.09 -43.5 98.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -58.54 -38.22 77.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.412 ' O ' HG23 ' A' ' 36' ' ' THR . 2.2 mmt -82.71 -30.6 29.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.696 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.535 ' OH ' HG22 ' A' ' 39' ' ' VAL . 35.2 t80 -61.15 -34.03 74.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -71.79 -44.7 63.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.77 -44.33 50.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 32' ' ' MET . 43.2 p -77.11 -39.35 49.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.066 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.96 55.89 1.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -121.95 96.89 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.2 t -66.35 -38.79 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.167 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.58 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.79 -36.26 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 66' ' ' ILE . 4.8 tp -61.64 -51.63 67.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.4 t -58.83 -42.43 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.312 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.13 -61.36 7.52 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.618 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.684 ' HA ' HD12 ' A' ' 48' ' ' LEU . 5.2 m-20 -59.51 -49.75 76.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 111.043 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.556 HD12 ' HG ' ' A' ' 42' ' ' LEU . 18.2 mt -56.65 -27.76 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.206 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.5 mttp -73.8 -51.46 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 45' ' ' ASP . 1.7 mt -56.99 -32.36 66.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.369 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -90.11 -45.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.324 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.648 ' O ' HG22 ' A' ' 50' ' ' ILE . 29.5 mt -88.46 14.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.525 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.2 p30 -58.58 -38.03 77.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.884 0.373 . . . . 0.0 110.766 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.2 115.43 9.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -42.72 -30.18 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.839 2.359 . . . . 0.0 112.656 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -67.71 -31.1 70.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.607 HH21 HG23 ' A' ' 17' ' ' ILE . 4.0 mtt85 -88.85 -0.71 57.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.518 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 17.7 mt -55.68 -49.07 94.9 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.533 0.206 . . . . 0.0 111.365 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.0 Cg_exo -52.14 -23.89 18.71 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.371 2.047 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.613 HD22 HD11 ' A' ' 62' ' ' ILE . 1.3 tt -59.02 -40.26 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.156 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CE1' HD12 ' A' ' 50' ' ' ILE . 28.1 m-85 -50.2 -35.68 27.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.247 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.77 -46.25 70.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 9' ' ' PHE . . . -71.79 -25.46 62.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.855 HG22 HD12 ' A' ' 66' ' ' ILE . 34.8 mm -68.01 -35.78 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.358 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 4.1 mtm180 -57.32 -59.64 12.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.039 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.794 ' HG2' HG11 ' A' ' 5' ' ' VAL . 66.6 Cg_exo -40.06 -51.65 3.08 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.077 2.518 . . . . 0.0 112.901 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 9' ' ' PHE . 1.9 mt -66.29 -37.36 85.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.351 0.596 . . . . 0.0 109.741 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.855 HD12 HG22 ' A' ' 62' ' ' ILE . 3.7 mt -67.07 139.87 95.59 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.527 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 87.4 Cg_exo -47.28 156.1 0.98 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.649 2.233 . . . . 0.0 112.733 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.29 -45.52 72.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.373 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -79.4 -34.59 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.66 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 67' ' ' PRO . 13.1 m-70 -67.69 -33.45 74.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.346 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.424 ' HA ' HG21 ' A' ' 66' ' ' ILE . 8.3 pt20 -67.3 -36.54 81.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.958 0.409 . . . . 0.0 110.346 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 68' ' ' LEU . 38.1 t -65.4 -51.88 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.526 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -38.12 81.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.372 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.661 ' CD1' HG22 ' A' ' 43' ' ' VAL . 61.0 t80 -54.26 -40.45 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.234 0.54 . . . . 0.0 109.648 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.64 -34.88 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.247 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.74 -32.27 73.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.83 -34.57 39.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.68 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.8 p -86.92 107.92 16.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.776 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.8 174.5 10.32 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.506 2.138 . . . . 0.0 112.4 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.809 0.338 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -155.49 97.99 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -98.12 37.84 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -95.53 -54.48 3.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.986 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.653 HG11 ' HG2' ' A' ' 64' ' ' PRO . 11.6 t -60.9 -26.14 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.84 83.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 111.211 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -64.41 -54.69 28.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.4 -30.33 71.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.673 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.802 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.3 t80 -60.38 -53.86 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -63.71 -40.01 95.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -65.27 -48.94 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.397 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.675 ' HD3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -66.43 -47.65 72.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.459 -179.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.816 HG22 HD21 ' A' ' 58' ' ' LEU . 94.4 t -52.66 -49.71 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.722 0.296 . . . . 0.0 111.225 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.92 -32.11 73.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -68.87 -50.77 46.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.45 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.994 HD11 HD23 ' A' ' 58' ' ' LEU . 1.1 pp -79.98 -30.21 39.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.412 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.778 HD12 HG13 ' A' ' 13' ' ' VAL . 16.8 mt -103.1 -74.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 111.331 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 73.92 1.4 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.679 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.742 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.3 m120 -98.39 121.1 39.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.26 -33.08 74.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.43 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.593 ' OE1' HG23 ' A' ' 17' ' ' ILE . 3.1 mt-10 -65.71 -35.51 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.806 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -66.94 -35.26 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.602 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -72.85 -33.33 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.389 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.61 -50.03 54.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.576 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.0 pp -63.85 -34.54 78.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.16 -35.02 77.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.61 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.95 -42.19 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.983 HG12 HD12 ' A' ' 42' ' ' LEU . 21.2 t -61.01 -48.34 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.7 -40.68 92.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -56.45 -42.0 77.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.74 ' CE ' HG21 ' A' ' 36' ' ' THR . 6.1 ptm -83.07 -28.37 29.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.793 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.793 ' OH ' HG22 ' A' ' 39' ' ' VAL . 14.4 t80 -60.14 -34.51 73.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.751 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.6 -48.18 75.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -74.83 -54.72 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.74 HG21 ' CE ' ' A' ' 32' ' ' MET . 70.8 p -62.93 -37.97 89.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.7 mmt 61.52 34.59 17.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.548 ' CG ' HG23 ' A' ' 41' ' ' VAL . 1.3 t0 -105.03 101.86 11.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.793 HG22 ' OH ' ' A' ' 33' ' ' TYR . 22.1 t -65.18 -40.63 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.92 77.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.548 HG23 ' CG ' ' A' ' 38' ' ' ASP . 25.1 t -73.47 -43.45 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.983 HD12 HG12 ' A' ' 29' ' ' VAL . 4.0 tp -60.54 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -66.69 -40.69 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.68 -61.36 7.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.604 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.626 ' HA ' HD12 ' A' ' 48' ' ' LEU . 17.5 t0 -59.43 -46.91 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.6 HD12 ' HG ' ' A' ' 42' ' ' LEU . 20.1 mt -57.64 -29.41 64.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.1 ttpt -73.68 -44.31 57.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.811 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 45' ' ' ASP . 9.4 mt -59.71 -36.67 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -87.56 -45.55 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.168 -179.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 50' ' ' ILE . 26.8 mt -86.54 11.57 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.712 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.7 m-20 -51.83 -43.35 63.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -49.6 115.72 5.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.455 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 84.7 Cg_exo -43.55 -33.92 4.84 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.806 2.337 . . . . 0.0 112.687 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -67.65 -25.58 65.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -89.92 0.0 57.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.655 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 78.0 mt -56.98 -45.75 99.93 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.451 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 77.8 Cg_exo -49.8 -25.22 11.36 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.295 1.996 . . . . 0.0 112.525 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.994 HD23 HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.78 -47.06 83.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -49.95 -37.63 32.9 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.139 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -53.73 -44.52 69.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.675 ' HB2' ' HD3' ' A' ' 12' ' ' LYS . . . -71.89 -27.8 63.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.435 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.695 HG22 HD12 ' A' ' 66' ' ' ILE . 31.7 mm -65.54 -37.31 79.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.594 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -57.19 -59.76 11.73 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.653 ' HG2' HG11 ' A' ' 5' ' ' VAL . 85.5 Cg_exo -41.81 -48.72 5.82 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.048 2.498 . . . . 0.0 112.883 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 9' ' ' PHE . 36.5 mt -66.13 -33.23 75.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.147 0.499 . . . . 0.0 110.563 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.695 HD12 HG22 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -81.44 141.3 48.97 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.887 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.469 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 2.1 Cg_endo -46.79 157.38 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.02 2.48 . . . . 0.0 112.67 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -50.87 -70.66 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.513 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -42.32 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.418 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 25.2 m170 -68.92 -30.93 69.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.176 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.462 ' HG3' HG22 ' A' ' 66' ' ' ILE . 40.0 mt-30 -63.14 -49.08 75.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.052 0.454 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.24 -49.88 82.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.14 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' OE1' HG11 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.77 -41.79 95.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.848 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 43' ' ' VAL . 38.7 t80 -53.83 -39.42 65.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.2 0.524 . . . . 0.0 109.674 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -72.75 -30.99 64.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.355 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -65.72 -30.0 70.61 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.2 mt -90.39 -38.9 13.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.078 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.0 p -91.85 131.52 35.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -74.2 167.22 27.7 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.412 2.075 . . . . 0.0 112.286 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.6 mtm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.846 0.355 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.93 84.82 2.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.91 110.43 22.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 -57.81 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.891 HG21 ' HB3' ' A' ' 64' ' ' PRO . 16.0 t -59.83 -26.19 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.36 -46.24 69.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.229 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -52.04 62.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.586 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -32.96 70.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.476 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.808 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.4 t80 -62.34 -48.5 79.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.565 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -59.21 -42.0 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -68.59 -45.33 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.772 ' HD2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -62.87 -55.6 24.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 58' ' ' LEU . 41.9 t -52.44 -44.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -60.69 -40.85 93.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.772 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -68.84 -35.92 77.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.937 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.772 HD11 ' HD2' ' A' ' 12' ' ' LYS . 2.8 mt -81.55 -66.85 0.84 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.592 HD12 ' CG1' ' A' ' 13' ' ' VAL . 23.8 mt -68.77 -60.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.252 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 75.84 1.31 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.673 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.547 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.3 t-20 -99.98 178.73 4.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.68 -39.26 3.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -46.84 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.015 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.59 -41.39 97.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.5 ttmt -66.68 -31.62 72.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.717 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -31.59 64.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.588 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.664 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -70.32 -47.15 62.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.817 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.485 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.3 pp -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -38.44 77.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.592 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.22 -42.48 96.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.561 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 25' ' ' TYR . 34.9 t -63.98 -42.21 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 65' ' ' LEU . 12.1 mt -67.34 -45.4 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.732 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -55.88 -39.19 71.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 10.5 mtp -82.8 -32.15 27.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.791 ' OH ' HG22 ' A' ' 39' ' ' VAL . 10.8 t80 -59.66 -30.27 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.57 -48.69 59.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -74.7 -42.9 57.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.8 p -75.7 -38.74 58.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.093 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 64.64 37.51 7.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.648 ' HB3' HG23 ' A' ' 41' ' ' VAL . 73.3 m-20 -105.92 98.98 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.791 HG22 ' OH ' ' A' ' 33' ' ' TYR . 24.5 t -61.64 -45.66 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.44 -35.8 68.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.5 t -73.46 -36.34 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.741 HD22 ' CE2' ' A' ' 33' ' ' TYR . 7.0 tp -68.74 -49.76 56.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.4 t -57.22 -46.14 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.255 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.11 -53.91 36.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.774 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -59.93 -47.07 87.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 50' ' ' ILE . 13.2 mt -57.58 -33.78 68.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -42.39 67.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 45' ' ' ASP . 4.4 mt -56.1 -53.09 61.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 25' ' ' TYR . 2.2 p -64.08 -46.06 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.286 0.565 . . . . 0.0 110.474 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.919 HD13 ' CE1' ' A' ' 59' ' ' PHE . 28.9 mt -66.53 -87.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.441 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.598 ' N ' HG22 ' A' ' 50' ' ' ILE . 68.8 m-20 52.08 41.2 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.718 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 50' ' ' ILE . 43.2 mt-10 -158.8 125.95 2.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.967 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 56' ' ' LEU . 52.4 Cg_exo -54.66 -26.32 45.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.402 2.068 . . . . 0.0 112.226 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -67.74 -30.48 69.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.891 ' HB2' HG23 ' A' ' 50' ' ' ILE . 8.1 mtp85 -89.37 -14.06 36.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.508 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 53' ' ' PRO . 11.2 mt -47.36 -49.78 51.87 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.386 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 66.6 Cg_exo -50.81 -25.08 14.66 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.311 2.007 . . . . 0.0 112.233 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.088 HD23 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -58.93 -38.92 80.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.011 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.919 ' CE1' HD13 ' A' ' 50' ' ' ILE . 34.3 m-85 -50.24 -35.54 27.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 t70 -53.89 -49.48 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.234 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -24.94 61.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.669 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.088 HD11 HD23 ' A' ' 58' ' ' LEU . 72.6 mt -68.49 -35.22 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 111.33 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 14.2 mtp180 -57.9 -59.31 13.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.339 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.891 ' HB3' HG21 ' A' ' 5' ' ' VAL . 64.7 Cg_exo -39.67 -52.62 2.55 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.262 2.641 . . . . 0.0 113.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.554 HD11 HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.91 -29.88 70.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.784 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.635 HD12 HG22 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -76.8 138.65 66.08 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.766 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 5.4 Cg_endo -49.48 157.57 2.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.724 2.283 . . . . 0.0 112.573 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.23 -71.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.532 -179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -43.03 -47.08 5.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 111.29 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.458 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 23.0 m170 -64.78 -37.29 87.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -46.01 89.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.473 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 36.5 t -59.22 -55.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.929 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' OE2' HD11 ' A' ' 77' ' ' LEU . 2.9 tt0 -61.46 -37.63 84.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.693 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -54.62 -39.93 68.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.19 0.519 . . . . 0.0 109.685 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.63 -32.55 66.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.443 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.75 -29.82 70.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD11 ' OE2' ' A' ' 73' ' ' GLU . 4.1 mt -93.75 -40.12 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.324 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.5 p -74.31 155.15 88.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 80' ' ' ARG . 19.5 Cg_endo -58.07 -161.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.874 2.383 . . . . 0.0 112.261 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' PRO . 8.3 mtp85 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -98.0 35.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.08 84.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.39 -58.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.04 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.852 HG11 ' CB ' ' A' ' 64' ' ' PRO . 4.1 t -66.45 -26.08 36.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.44 -45.88 73.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.002 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -46.35 87.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.487 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -35.55 80.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.491 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 13' ' ' VAL . 40.4 t80 -60.24 -49.65 76.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.486 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.49 87.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.612 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -37.03 85.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.775 ' CD ' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -64.08 -54.65 30.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.813 HG22 HD11 ' A' ' 58' ' ' LEU . 33.7 t -53.16 -47.84 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.208 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -59.18 -37.66 77.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -41.51 78.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.775 HD11 ' CD ' ' A' ' 12' ' ' LYS . 1.5 mt -82.81 -67.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.642 HD12 HG13 ' A' ' 13' ' ' VAL . 19.1 mt -73.5 -65.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.252 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 76.71 1.26 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.53 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.636 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 8.2 t-20 -95.48 117.26 30.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -59.01 -34.1 71.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HB3' ' OD1' ' A' ' 19' ' ' ASN . . . -63.81 -57.51 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -35.82 72.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.519 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HG2' HG11 ' A' ' 13' ' ' VAL . 4.9 mtmt -68.29 -45.09 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.688 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.572 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.75 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.62 -51.42 35.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.695 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 26' ' ' LEU . 1.1 pp -67.33 -31.74 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.801 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -39.02 85.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.881 0.372 . . . . 0.0 110.582 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.32 -40.39 81.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.62 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.959 HG12 HD12 ' A' ' 42' ' ' LEU . 31.3 t -60.2 -45.36 96.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.94 -47.69 82.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -37.95 69.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.793 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' THR . 11.0 mtp -79.92 -31.59 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.603 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.811 ' CE2' HD11 ' A' ' 66' ' ' ILE . 49.2 t80 -60.38 -35.07 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -63.96 -51.17 65.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -74.7 -52.54 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' MET . 27.8 p -62.99 -41.16 99.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.87 39.95 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB3' HG23 ' A' ' 41' ' ' VAL . 3.2 m-20 -112.57 100.68 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.045 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 43' ' ' VAL . 23.0 t -67.13 -31.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.3 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.1 t -73.26 -36.47 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.959 HD12 HG12 ' A' ' 29' ' ' VAL . 6.8 tp -64.63 -41.95 95.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 39' ' ' VAL . 37.9 t -67.5 -50.48 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.18 -46.88 93.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.6 m-20 -61.63 -44.65 96.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -60.33 -40.98 92.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -43.44 80.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 45' ' ' ASP . 32.6 mt -53.93 -53.04 58.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -68.83 -46.09 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.16 0.505 . . . . 0.0 110.491 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.906 HG23 ' HB2' ' A' ' 55' ' ' ARG . 84.2 mt -65.78 -85.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.486 ' N ' HG22 ' A' ' 50' ' ' ILE . 9.3 p30 45.54 39.46 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.678 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' H ' HG22 ' A' ' 50' ' ' ILE . 37.4 mt-10 -153.23 123.78 3.47 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.116 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.23 -25.58 24.05 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.527 2.151 . . . . 0.0 112.46 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.3 p -67.66 -30.8 70.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.906 ' HB2' HG23 ' A' ' 50' ' ' ILE . 21.2 mtt-85 -92.14 -7.01 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.511 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.9 mt -45.71 -55.82 11.57 Favored Pre-proline 0 CA--C 1.53 0.188 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 3.5 Cg_endo -46.36 -24.34 2.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.828 2.352 . . . . 0.0 112.702 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.813 HD11 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -63.73 -29.52 70.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.766 0.317 . . . . 0.0 111.04 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.895 ' HA ' HD12 ' A' ' 62' ' ' ILE . 38.8 m-85 -61.52 -51.42 68.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.719 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.9 p30 -53.56 -38.07 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.153 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.51 -28.59 62.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.377 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' A' ' 59' ' ' PHE . 18.6 mt -69.18 -35.94 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.56 -179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -57.17 -56.65 31.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.614 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.852 ' CB ' HG11 ' A' ' 5' ' ' VAL . 29.6 Cg_exo -36.32 -52.82 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.6 2.866 . . . . 0.0 113.909 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -65.7 -30.33 71.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 111.178 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.811 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -73.74 149.96 88.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 66' ' ' ILE . 51.8 Cg_exo -54.82 156.3 15.56 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.69 2.26 . . . . 0.0 112.559 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -67.83 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -38.61 39.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.966 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -60.4 -37.34 80.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -59.95 -47.48 85.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.008 0.433 . . . . 0.0 110.598 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -56.8 -52.57 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.84 -33.31 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.607 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.474 ' CE1' HG21 ' A' ' 78' ' ' THR . 7.8 t80 -54.13 -43.49 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.138 0.494 . . . . 0.0 109.697 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -72.75 -36.34 67.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.44 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.75 -30.94 71.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' CG1' ' A' ' 39' ' ' VAL . 96.0 mt -86.92 -36.6 18.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.763 HG22 HG13 ' A' ' 43' ' ' VAL . 82.8 p -87.38 129.06 52.76 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.57 141.66 28.3 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.449 2.1 . . . . 0.0 112.307 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.94 173.24 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.41 145.06 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -52.18 63.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.779 HG21 ' HB3' ' A' ' 64' ' ' PRO . 16.3 t -74.59 -26.16 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.18 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.31 -46.97 82.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -59.93 -54.8 41.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -30.46 71.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.577 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.809 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.0 t80 -61.41 -53.8 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.79 93.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -62.24 -53.26 57.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.467 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 9' ' ' PHE . 8.3 ptmt -65.1 -43.07 93.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.199 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.93 HG22 HD11 ' A' ' 58' ' ' LEU . 60.8 t -52.49 -45.56 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -71.89 -30.51 65.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.729 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -68.82 -50.99 45.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.457 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD12 ' CG1' ' A' ' 17' ' ' ILE . 0.6 OUTLIER -78.76 -35.21 44.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.448 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.732 HD12 HG13 ' A' ' 13' ' ' VAL . 12.1 mt -96.61 -65.99 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 75.78 1.26 3.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.7 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.564 ' HB2' HG22 ' A' ' 17' ' ' ILE . 4.0 m120 -96.48 116.62 29.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.31 -34.36 70.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.31 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.032 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' CB ' HG21 ' A' ' 17' ' ' ILE . 7.4 mm-40 -67.9 -36.93 81.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -71.85 -35.6 69.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -34.56 66.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.436 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.74 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.0 t80 -69.08 -49.35 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.674 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.538 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.5 pp -65.24 -33.27 75.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.88 -37.32 81.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.86 -39.47 83.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.597 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.749 HG12 HD12 ' A' ' 42' ' ' LEU . 16.2 t -62.21 -46.88 95.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.47 -44.68 77.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -56.15 -39.83 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.911 ' O ' HG22 ' A' ' 36' ' ' THR . 0.8 OUTLIER -86.76 -28.6 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.73 ' OH ' HG22 ' A' ' 39' ' ' VAL . 11.9 t80 -58.66 -35.23 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -74.68 -55.0 6.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.31 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 32' ' ' MET . 5.8 t -73.02 -31.73 64.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.238 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.35 36.76 14.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 36' ' ' THR . 1.0 OUTLIER -102.93 96.97 7.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG22 ' OH ' ' A' ' 33' ' ' TYR . 15.8 t -63.69 -36.13 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -62.58 -37.45 78.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD12 HG12 ' A' ' 29' ' ' VAL . 26.1 tp -58.32 -47.0 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.83 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.2 t -65.5 -39.42 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.77 -61.35 7.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.634 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.475 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.1 m-20 -57.5 -53.79 54.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.994 0.425 . . . . 0.0 110.969 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.645 HD13 ' OH ' ' A' ' 74' ' ' TYR . 51.2 mt -50.76 -28.24 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.727 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 12.7 ttmt -74.12 -44.34 54.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.27 -32.22 66.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.566 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -96.48 -30.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.613 ' O ' HG22 ' A' ' 50' ' ' ILE . 16.2 mt -108.37 25.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -75.44 -6.66 51.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 111.205 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 4.0 mt-10 -97.45 116.71 65.91 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.477 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 73.4 Cg_exo -37.73 -29.7 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.41 2.74 . . . . 0.0 113.318 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -63.5 -37.2 86.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' NH1' HG23 ' A' ' 17' ' ' ILE . 4.3 mtt-85 -92.16 3.02 56.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.921 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.44 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 10.7 mt -53.9 -49.73 87.85 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.562 0.22 . . . . 0.0 111.238 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 71.4 Cg_exo -48.89 -25.59 8.77 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.527 2.151 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 13' ' ' VAL . 58.6 tp -55.62 -42.22 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.195 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' HA ' HD12 ' A' ' 62' ' ' ILE . 32.0 m-85 -50.15 -33.79 20.13 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -53.69 -49.67 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB1' ' HD2' ' A' ' 9' ' ' PHE . . . -71.89 -27.46 62.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.778 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 59' ' ' PHE . 59.9 mt -67.75 -30.68 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.438 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' CB ' ' HD3' ' A' ' 64' ' ' PRO . 3.4 mtp180 -63.01 -59.38 12.59 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.205 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.779 ' HB3' HG21 ' A' ' 5' ' ' VAL . 72.6 Cg_exo -41.84 -52.59 3.85 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.076 2.517 . . . . 0.0 113.108 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.1 pp -65.5 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.336 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -87.9 141.81 31.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.82 157.2 13.28 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 112.215 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -66.67 0.35 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -46.81 29.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.088 0.471 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 8.3 m170 -65.23 -29.89 70.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.948 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' CG ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -62.12 -54.13 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.143 0.497 . . . . 0.0 110.626 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -57.66 -48.51 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.942 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -39.82 94.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 46' ' ' LEU . 29.1 t80 -54.05 -39.86 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -72.58 -32.1 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.392 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -65.76 -30.32 70.95 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD12 HG12 ' A' ' 39' ' ' VAL . 18.0 mt -88.85 -45.61 9.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.052 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 74' ' ' TYR . 69.7 p -64.38 112.24 7.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.61 128.68 16.52 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.476 2.117 . . . . 0.0 112.226 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.349 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mmt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.811 0.339 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -149.23 93.26 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.635 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 1.5 tpt180 60.05 170.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -106.75 -53.72 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.848 HG21 ' HB3' ' A' ' 64' ' ' PRO . 20.6 t -74.71 -27.55 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.403 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 3' ' ' ARG . . . -58.61 -47.65 83.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.0 ttt-85 -62.45 -47.5 83.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.247 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -63.94 -30.37 71.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.379 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 31.1 t80 -62.89 -50.14 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.45 -45.52 93.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -63.63 -53.22 54.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.889 ' HE2' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -62.2 -43.27 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.256 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.628 HG23 ' HD2' ' A' ' 12' ' ' LYS . 4.0 t -55.34 -43.49 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.811 0.338 . . . . 0.0 110.799 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.58 -34.06 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.97 -50.88 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.263 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -71.88 -52.19 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.733 HG22 ' H ' ' A' ' 19' ' ' ASN . 23.9 mm -71.13 -70.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.94 1.38 4.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.778 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.733 ' H ' HG22 ' A' ' 17' ' ' ILE . 68.9 m-20 -111.79 165.54 11.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.813 0.339 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.56 -41.54 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.93 69.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.032 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.84 -45.02 93.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -59.15 -38.67 80.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.702 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.29 -32.61 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.501 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.71 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -65.33 -44.83 86.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.702 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -65.03 -45.5 85.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -62.06 -35.02 77.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -45.82 83.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.72 HG12 HD12 ' A' ' 42' ' ' LEU . 12.2 t -61.23 -47.64 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 65' ' ' LEU . 5.5 mt -63.01 -49.31 75.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.89 -41.28 77.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.83 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' THR . 38.5 mtp -77.59 -31.44 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.59 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CE2' HD22 ' A' ' 42' ' ' LEU . 22.2 t80 -62.34 -31.57 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -70.77 -47.04 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -74.54 -37.74 62.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.039 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 32' ' ' MET . 69.5 p -78.77 -42.42 28.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.31 45.25 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -128.65 104.27 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.5 t -58.35 -30.38 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.201 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.36 96.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -73.54 -36.3 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.721 ' HG ' HD12 ' A' ' 46' ' ' LEU . 12.2 tp -63.83 -52.27 60.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.1 t -62.69 -39.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.26 -61.29 7.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HA ' HD12 ' A' ' 48' ' ' LEU . 57.4 m-20 -59.45 -51.73 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.754 HD13 ' OH ' ' A' ' 74' ' ' TYR . 15.3 mt -54.94 -28.55 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HE2' HG12 ' A' ' 43' ' ' VAL . 6.8 mtmt -73.99 -52.45 12.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.796 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.0 mt -53.94 -33.24 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.293 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.08 -45.37 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.415 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.638 ' O ' HG22 ' A' ' 50' ' ' ILE . 12.6 mt -91.34 20.56 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.8 m-20 -61.36 -38.4 86.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.931 0.396 . . . . 0.0 110.679 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . 3.0 mm-40 -52.11 115.61 7.03 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.417 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 91.7 Cg_exo -42.88 -30.64 1.88 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.852 2.368 . . . . 0.0 112.714 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -67.69 -30.32 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.626 ' HB3' HG23 ' A' ' 50' ' ' ILE . 58.2 mtt85 -89.74 -0.44 57.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.515 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 18.8 mt -55.98 -47.75 98.14 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 53.5 Cg_exo -52.25 -23.88 19.25 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.351 2.034 . . . . 0.0 112.536 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.913 HD22 HD11 ' A' ' 62' ' ' ILE . 1.2 tt -55.63 -45.34 77.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.323 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.861 ' HA ' HD12 ' A' ' 62' ' ' ILE . 51.7 m-85 -50.2 -30.23 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.529 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 t0 -53.84 -56.82 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.329 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -71.67 -18.67 62.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.926 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.913 HD11 HD22 ' A' ' 58' ' ' LEU . 65.8 mt -74.49 -30.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.549 0.214 . . . . 0.0 111.555 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.533 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 2.6 mtt180 -65.36 -54.33 32.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.303 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.848 ' HB3' HG21 ' A' ' 5' ' ' VAL . 84.8 Cg_exo -42.05 -52.45 4.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.946 2.431 . . . . 0.0 113.391 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 30' ' ' LEU . 1.4 pp -65.52 -22.34 66.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.399 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -82.2 149.12 61.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.72 0.295 . . . . 0.0 110.874 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 66' ' ' ILE . 74.1 Cg_exo -50.25 157.43 3.08 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.676 2.251 . . . . 0.0 112.666 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD13 ' HD2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -50.3 -72.48 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.001 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HD2' HD13 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -51.33 -32.35 25.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.992 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -65.68 -35.54 81.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.424 ' CG ' HG22 ' A' ' 66' ' ' ILE . 4.9 mt-30 -60.02 -51.61 68.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.006 0.431 . . . . 0.0 110.671 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.25 -50.58 76.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.032 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.14 -38.94 93.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.719 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.754 ' OH ' HD13 ' A' ' 46' ' ' LEU . 5.9 t80 -54.05 -40.38 67.07 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.73 -31.7 65.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -65.7 -30.46 71.15 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.975 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD13 HG21 ' A' ' 43' ' ' VAL . 11.9 mt -90.6 -40.28 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.126 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' ' 79' ' ' PRO . 24.4 p -76.7 161.43 74.14 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 71.4 Cg_exo -48.91 132.4 26.78 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.606 2.204 . . . . 0.0 112.392 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.872 0.367 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 t0 60.46 31.42 20.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.6 mtt85 -102.03 40.98 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -32.18 45.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 64' ' ' PRO . 23.3 t -74.69 -26.18 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 -67.92 -54.32 19.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.745 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.41 -33.28 69.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.665 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.909 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.3 t80 -64.12 -52.59 58.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.662 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -61.42 -53.36 57.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 1.1 ptmt -61.2 -41.54 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.964 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 9' ' ' PHE . 89.2 t -52.5 -51.74 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.738 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -32.94 74.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.229 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -40.43 79.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.794 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -65.54 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.799 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.714 HG21 ' HB2' ' A' ' 22' ' ' GLU . 26.8 mt -71.38 -66.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 75.97 1.15 3.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.677 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.711 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.7 t-20 -96.92 130.26 44.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.798 0.332 . . . . 0.0 110.999 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -68.49 -33.1 73.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.34 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.714 ' HB2' HG21 ' A' ' 17' ' ' ILE . 3.1 mm-40 -64.08 -39.54 94.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -69.21 -31.2 69.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.742 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.97 -32.3 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -69.62 -49.09 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.736 179.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.3 pp -65.61 -33.57 76.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -36.74 77.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.631 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -68.87 -37.72 79.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.985 HG12 HD12 ' A' ' 42' ' ' LEU . 28.2 t -65.23 -45.97 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.04 -45.55 88.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -39.26 75.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 49.1 mmm -82.28 -30.44 30.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.703 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.592 ' CG ' HD13 ' A' ' 42' ' ' LEU . 39.1 t80 -61.46 -32.17 72.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.1 -44.05 63.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -74.75 -41.66 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 p -78.71 -41.2 31.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.015 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttm 64.02 40.2 7.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.52 106.16 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.6 t -63.39 -33.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.9 89.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -73.44 -37.96 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.985 HD12 HG12 ' A' ' 29' ' ' VAL . 11.1 tp -62.85 -52.25 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 39' ' ' VAL . 23.2 t -62.49 -39.37 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.38 -61.16 7.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.647 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.804 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.6 m-20 -61.36 -47.38 86.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.991 0.424 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 46' ' ' LEU . 17.3 mt -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ASN . 17.7 ttmt -74.01 -45.49 49.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.74 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 45' ' ' ASP . 6.2 mt -56.76 -37.13 70.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -88.32 -45.01 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.306 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 50' ' ' ILE . 23.5 mt -87.6 15.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.646 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' LYS . 11.3 p30 -55.67 -41.56 73.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.903 0.382 . . . . 0.0 110.949 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -49.84 114.84 4.56 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.976 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 96.8 Cg_exo -41.44 -30.98 0.97 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.949 2.433 . . . . 0.0 112.763 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -38.17 83.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HB3' HG23 ' A' ' 50' ' ' ILE . 70.2 mtt180 -78.9 -3.75 46.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.599 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.515 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 28.5 mt -53.19 -58.86 10.76 Favored Pre-proline 0 CA--C 1.531 0.227 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 6.2 Cg_endo -48.64 -24.75 7.04 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.712 2.275 . . . . 0.0 112.575 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.26 -38.47 71.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 62' ' ' ILE . 24.4 m-85 -51.25 -30.71 18.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 14.3 m-20 -53.83 -49.25 68.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.185 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -72.35 -18.98 61.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.039 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 21.5 mt -74.38 -43.16 49.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.47 -51.82 78.86 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.053 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.751 ' HB2' HG11 ' A' ' 5' ' ' VAL . 56.2 Cg_exo -38.53 -53.7 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.138 2.559 . . . . 0.0 114.204 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.34 -28.7 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.171 -179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -69.86 151.33 96.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 -179.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD2' HG13 ' A' ' 66' ' ' ILE . 71.8 Cg_exo -49.79 157.35 2.62 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.802 2.335 . . . . 0.0 112.617 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -73.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.069 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -30.69 9.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -67.13 -36.18 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.624 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -59.98 -51.98 67.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.092 0.472 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.23 -48.55 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.87 -38.54 89.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.754 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -53.94 -40.83 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.22 0.533 . . . . 0.0 109.749 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -72.71 -33.64 66.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.515 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.77 -27.89 68.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.58 -40.5 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 39.8 p -72.83 121.8 85.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.96 145.84 32.09 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.485 2.123 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.826 0.346 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -98.66 31.81 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.668 ' HG2' ' HB3' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -152.87 76.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.37 -45.46 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.876 HG11 ' CB ' ' A' ' 64' ' ' PRO . 16.3 t -74.75 -26.19 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.925 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.668 ' HB3' ' HG2' ' A' ' 3' ' ' ARG . . . -56.07 -39.63 72.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.43 -54.68 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.424 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.46 -34.28 76.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.298 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.668 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.3 t80 -60.1 -52.31 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -57.43 -42.01 81.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.613 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -69.11 -36.79 77.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.683 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HD2' HD11 ' A' ' 16' ' ' LEU . 1.1 tmtp? -67.53 -58.82 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.668 HG21 ' CE1' ' A' ' 9' ' ' PHE . 36.1 t -52.57 -43.24 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -41.05 96.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.91 -41.81 77.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.928 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.76 HD11 ' HD2' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -76.45 -65.89 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.667 HG22 ' H ' ' A' ' 19' ' ' ASN . 25.3 mt -77.54 -68.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.227 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.54 1.32 3.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.667 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.2 m120 -94.14 162.49 13.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -93.43 -38.13 11.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.85 64.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' CB ' HG21 ' A' ' 17' ' ' ILE . 4.9 mp0 -58.19 -44.4 88.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.679 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -58.32 -40.1 81.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.641 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.07 -37.1 86.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.484 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -62.31 -43.05 99.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -61.22 -47.67 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.388 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -57.6 -35.38 70.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.3 -40.3 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.783 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.943 HG12 HD12 ' A' ' 42' ' ' LEU . 20.3 t -61.94 -43.42 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -60.0 -37.17 78.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 36' ' ' THR . 2.0 mmt -85.02 -30.88 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.641 ' CG ' HD13 ' A' ' 42' ' ' LEU . 24.6 t80 -61.96 -33.76 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.764 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.0 -43.8 56.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -39.65 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 32' ' ' MET . 43.2 p -78.81 -41.14 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.24 61.52 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -150.05 107.58 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.3 t -58.84 -34.73 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.01 -43.06 81.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 38' ' ' ASP . 23.7 t -73.45 -36.39 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.943 HD12 HG12 ' A' ' 29' ' ' VAL . 19.3 tp -58.98 -52.2 66.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.092 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 39' ' ' VAL . 21.8 t -59.76 -39.62 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.83 -59.07 11.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.554 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.651 ' HA ' HD12 ' A' ' 48' ' ' LEU . 7.4 m-20 -59.2 -49.53 77.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.621 HD12 ' HG ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.54 -32.56 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -73.5 -42.07 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 45' ' ' ASP . 15.1 mt -56.69 -53.12 61.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 25' ' ' TYR . 2.5 p -62.01 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.178 0.513 . . . . 0.0 110.629 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' A' ' 55' ' ' ARG . 72.8 mt -62.03 -86.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.667 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.474 ' N ' HG22 ' A' ' 50' ' ' ILE . 9.9 m-20 51.93 26.36 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.948 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.623 ' H ' HG22 ' A' ' 50' ' ' ILE . 7.9 mm-40 -145.88 121.04 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.896 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -50.99 -25.23 15.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.357 2.038 . . . . 0.0 112.439 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -27.72 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.879 ' HB2' HG23 ' A' ' 50' ' ' ILE . 18.8 mtt-85 -92.16 -7.28 48.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.616 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 9.4 mt -49.54 -50.42 66.13 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-O 120.583 0.23 . . . . 0.0 111.33 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 73.2 Cg_exo -50.49 -24.42 12.35 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.409 2.073 . . . . 0.0 112.518 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.074 HD23 HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -54.99 -43.15 73.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.144 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 62' ' ' ILE . 20.1 m-85 -50.13 -30.48 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.114 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.488 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.7 t70 -53.83 -52.77 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.81 -22.72 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.766 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.074 HD11 HD23 ' A' ' 58' ' ' LEU . 65.2 mt -71.51 -30.34 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 111.552 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 24.0 mtm-85 -64.98 -56.65 19.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.568 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.876 ' CB ' HG11 ' A' ' 5' ' ' VAL . 63.4 Cg_exo -39.99 -53.02 2.6 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.18 2.587 . . . . 0.0 113.532 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.09 -31.22 71.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 179.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.655 HD12 HG22 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -76.96 135.82 66.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.728 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 6.5 Cg_endo -49.59 157.49 2.31 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.783 2.322 . . . . 0.0 112.639 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.37 -70.44 0.09 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.546 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.94 -49.68 5.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.965 0.412 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.476 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 14.9 m170 -67.47 -30.1 69.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.716 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -54.03 47.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 110.247 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.5 -47.9 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.813 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -65.5 -36.93 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.604 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.665 ' O ' HG23 ' A' ' 78' ' ' THR . 49.8 t80 -54.37 -42.54 70.44 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.67 -31.66 65.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.358 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -31.12 71.96 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.441 HD12 HG12 ' A' ' 39' ' ' VAL . 15.7 mt -89.94 -45.25 9.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 74' ' ' TYR . 62.7 p -63.83 126.21 89.4 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.854 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.76 157.04 10.78 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.369 2.046 . . . . 0.0 112.235 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.814 0.34 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -178.2 -64.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.794 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.21 -172.68 4.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.29 -58.02 0.58 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.205 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' ' 64' ' ' PRO . 15.3 t -53.66 -26.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.36 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.91 -47.56 84.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -65.21 -54.49 28.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.553 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -33.54 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.9 t80 -60.49 -50.31 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.504 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.21 -45.31 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.596 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -66.23 -40.21 90.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.658 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.808 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.28 -58.55 8.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 58' ' ' LEU . 59.8 t -52.44 -46.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.171 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.39 -40.67 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.677 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -44.72 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.808 HD11 ' HD3' ' A' ' 12' ' ' LYS . 1.6 mt -72.58 -67.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 19' ' ' ASN . 21.7 mt -77.86 -67.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.194 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 76.05 1.06 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.69 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.63 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-80 -94.99 114.4 26.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.33 -36.14 65.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.997 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.12 -56.13 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.92 -35.09 74.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.745 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 3.7 mtmp? -66.93 -34.81 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.69 64.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.342 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.88 -49.06 50.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.569 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 26' ' ' LEU . 3.2 pp -64.64 -33.87 76.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -71.53 -34.05 69.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.587 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.58 -45.43 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG12 HD12 ' A' ' 42' ' ' LEU . 45.3 t -64.69 -43.07 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.42 -46.03 91.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -57.71 -45.69 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.804 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 36' ' ' THR . 0.1 OUTLIER -71.92 -31.85 66.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.577 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.791 ' CE2' HD22 ' A' ' 42' ' ' LEU . 13.8 t80 -61.4 -34.61 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.681 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.53 -48.45 66.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -74.88 -44.34 49.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 32' ' ' MET . 35.0 p -72.53 -33.87 67.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mmt 60.76 51.32 4.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.993 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -117.66 96.27 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.899 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.4 t -68.42 -44.89 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.01 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.2 t -73.48 -37.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.791 HD22 ' CE2' ' A' ' 33' ' ' TYR . 6.5 tp -64.57 -45.04 88.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.1 t -61.16 -44.93 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 48' ' ' LEU . . . -57.88 -61.63 7.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -54.75 -50.47 68.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.82 0.343 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.89 -27.5 63.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.96 -52.79 11.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.794 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 44' ' ' GLY . 1.1 mt -54.02 -34.43 59.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.77 -45.24 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.246 -179.677 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 55' ' ' ARG . 17.5 mt -90.89 20.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.541 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.8 p30 -57.56 -39.91 77.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -50.03 113.44 3.44 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.44 -30.77 2.63 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.794 2.329 . . . . 0.0 112.712 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -67.68 -30.78 70.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.714 ' HB3' HG23 ' A' ' 50' ' ' ILE . 78.7 mtt180 -84.62 -14.09 49.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.468 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.519 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 26.2 mt -46.68 -58.58 6.57 Favored Pre-proline 0 CA--C 1.531 0.244 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 1.4 Cg_endo -44.42 -27.54 2.15 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.8 2.334 . . . . 0.0 112.703 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.62 ' CD2' HD11 ' A' ' 62' ' ' ILE . 7.2 tt -56.65 -41.02 76.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.59 ' HA ' HD12 ' A' ' 62' ' ' ILE . 25.3 m-85 -50.22 -30.09 10.87 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 74.0 m-20 -53.54 -51.72 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.69 -18.35 62.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.695 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' A' ' 58' ' ' LEU . 35.1 mt -74.41 -34.67 36.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.66 0.267 . . . . 0.0 111.556 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HB3' ' HD3' ' A' ' 64' ' ' PRO . 2.3 ttp180 -60.39 -56.74 32.33 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.229 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.757 ' HB2' HG11 ' A' ' 5' ' ' VAL . 92.1 Cg_exo -45.7 -52.71 6.49 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.862 2.375 . . . . 0.0 112.791 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 66' ' ' ILE . 4.0 pp -65.87 -15.57 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.387 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.493 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -82.26 158.68 66.33 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.683 0.278 . . . . 0.0 111.2 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 51.0 Cg_exo -55.48 157.51 14.87 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.772 2.314 . . . . 0.0 112.531 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -51.76 -68.72 0.15 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.04 -36.16 70.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.447 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 11.8 m170 -63.68 -31.7 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.064 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.493 ' CG ' HG22 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -60.24 -56.18 24.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.163 0.506 . . . . 0.0 110.568 179.78 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.08 -46.46 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.59 -41.1 96.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -53.96 -39.58 66.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.174 0.511 . . . . 0.0 109.642 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.79 -31.64 65.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.44 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -65.63 -32.76 74.51 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.83 -38.58 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 p -105.54 104.74 49.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.35 165.69 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.449 2.1 . . . . 0.0 112.272 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.869 0.366 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -45.17 3.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.9 134.17 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -132.91 -49.28 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.621 HG11 ' CG ' ' A' ' 64' ' ' PRO . 9.5 t -67.41 -26.1 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.047 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.32 -46.1 83.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.331 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -54.79 41.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.72 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.78 -30.4 71.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.402 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.942 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.2 t80 -63.97 -54.03 40.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.791 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -57.12 -45.05 83.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -57.82 -52.98 63.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HE3' ' HB2' ' A' ' 61' ' ' ALA . 4.2 ptpt -62.54 -31.51 72.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 9' ' ' PHE . 88.6 t -60.75 -51.56 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.672 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -68.96 -33.82 74.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 ' CD2' ' A' ' 58' ' ' LEU . 1.2 mt -84.47 -71.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.667 HG23 HH12 ' A' ' 55' ' ' ARG . 19.2 mm -56.69 -58.36 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 77.3 -4.22 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.757 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -111.94 169.06 9.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.766 0.317 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' HA ' ' HG2' ' A' ' 23' ' ' LYS . 13.9 t0 -102.68 -41.9 6.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.55 86.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.088 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.31 -50.86 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -59.67 -32.49 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -31.56 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.756 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.3 OUTLIER -67.69 -41.27 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.617 HD22 HG11 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -67.77 -45.99 73.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.482 179.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -63.74 -34.29 77.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.666 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.09 -45.15 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 25' ' ' TYR . 28.8 t -60.3 -43.04 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.782 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.52 -46.08 91.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -56.51 -40.8 75.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.64 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.57 -30.86 47.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.536 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.784 ' OH ' HG22 ' A' ' 39' ' ' VAL . 16.3 t80 -61.54 -31.73 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.615 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -70.25 -44.12 69.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -40.84 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.7 p -78.69 -37.01 42.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.0 mmt 61.64 30.94 18.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.907 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.552 ' HB3' HG23 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -103.7 97.56 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.965 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.784 HG22 ' OH ' ' A' ' 33' ' ' TYR . 14.8 t -65.14 -38.96 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.43 81.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.4 t -73.25 -36.4 49.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.711 HD22 ' CD2' ' A' ' 33' ' ' TYR . 50.3 tp -61.6 -40.85 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.6 t -65.63 -39.93 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.187 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.53 -57.09 20.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.707 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.4 t0 -59.99 -45.54 92.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.491 HD12 ' HG ' ' A' ' 42' ' ' LEU . 20.9 mt -58.26 -29.52 65.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.3 tptt -74.05 -52.75 11.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.9 0.381 . . . . 0.0 110.987 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.5 mt -53.94 -33.98 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.418 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG11 HD22 ' A' ' 26' ' ' LEU . 1.6 p -92.1 -47.68 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 0.0 111.544 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.765 HG23 ' HB3' ' A' ' 55' ' ' ARG . 7.9 mt -90.54 21.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.652 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 m-20 -58.64 -41.3 85.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.31 115.5 7.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.521 ' HA ' HD12 ' A' ' 56' ' ' LEU . 85.1 Cg_exo -43.2 -30.09 2.03 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.925 2.417 . . . . 0.0 112.73 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 m -67.73 -29.95 69.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.765 ' HB3' HG23 ' A' ' 50' ' ' ILE . 70.1 mtt-85 -88.88 -8.52 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.586 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 53' ' ' PRO . 12.8 mt -53.19 -49.94 85.06 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-O 120.475 0.178 . . . . 0.0 111.421 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 68.6 Cg_exo -50.8 -24.87 14.2 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.461 2.107 . . . . 0.0 112.359 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.66 -31.86 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.206 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -50.02 -35.71 25.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.957 0.408 . . . . 0.0 111.266 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -53.77 -48.86 69.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.859 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.79 -18.42 62.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.771 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.747 HG22 HD12 ' A' ' 66' ' ' ILE . 35.7 mm -74.47 -38.35 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.475 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.614 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -57.32 -53.64 63.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.29 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.621 ' CG ' HG11 ' A' ' 5' ' ' VAL . 82.7 Cg_exo -40.77 -51.41 3.63 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.883 2.389 . . . . 0.0 112.814 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.2 mt -65.92 -36.89 84.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.173 0.511 . . . . 0.0 110.211 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.747 HD12 HG22 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -67.23 121.54 78.94 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.761 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 70' ' ' HIS . 4.0 Cg_endo -48.59 157.75 1.35 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -49.82 -68.47 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.414 -179.321 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -44.93 -45.66 10.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 111.218 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 67' ' ' PRO . 21.5 m170 -66.46 -33.26 75.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.534 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.55 85.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.188 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.82 -52.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.647 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -38.1 89.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.786 ' O ' HG23 ' A' ' 78' ' ' THR . 27.4 t80 -54.75 -39.21 68.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.6 -33.38 66.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.378 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.63 -29.3 69.86 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mt -88.54 -42.22 12.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 74' ' ' TYR . 34.8 p -71.7 112.9 15.79 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.807 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.54 129.13 32.3 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.369 2.046 . . . . 0.0 112.27 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.865 0.364 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -141.06 114.01 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -60.26 145.83 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -136.52 -49.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.648 HG11 ' CG ' ' A' ' 64' ' ' PRO . 10.7 t -61.07 -26.09 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.075 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.17 92.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -63.79 -54.67 31.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.96 -30.72 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.7 t80 -62.0 -53.98 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.68 -38.11 86.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -63.77 -48.37 77.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.343 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.699 ' HE3' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -69.4 -34.38 74.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.575 -179.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.043 HG22 HD11 ' A' ' 58' ' ' LEU . 97.7 t -61.07 -50.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.66 -36.73 84.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -68.77 -44.52 73.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.762 HD21 HD13 ' A' ' 58' ' ' LEU . 2.2 pp -84.87 -22.14 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.601 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.786 HG22 ' H ' ' A' ' 19' ' ' ASN . 22.4 mt -111.37 -81.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 0.0 111.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 72.57 1.42 3.98 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.716 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.786 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.7 m120 -71.73 -19.78 61.99 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.669 0.271 . . . . 0.0 111.28 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 74.31 -61.91 0.48 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.846 0.355 . . . . 0.0 111.065 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.25 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.128 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HB2' HG21 ' A' ' 17' ' ' ILE . 5.0 mm-40 -65.24 -39.64 92.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.545 ' HA ' HD21 ' A' ' 26' ' ' LEU . 4.6 mtmp? -63.6 -43.42 96.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.592 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.54 -36.34 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.045 0.45 . . . . 0.0 110.015 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.56 -57.08 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.314 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.545 HD21 ' HA ' ' A' ' 23' ' ' LYS . 3.0 pp -59.56 -28.9 67.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -69.19 -37.32 78.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.532 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.81 -43.17 76.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.751 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.862 HG12 HD12 ' A' ' 42' ' ' LEU . 38.8 t -60.74 -43.21 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.37 -51.67 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.788 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -37.51 75.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mtp -80.16 -30.71 38.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.638 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.673 ' CG ' HD13 ' A' ' 42' ' ' LEU . 29.7 t80 -62.27 -35.79 80.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -73.17 -39.44 65.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -74.81 -46.34 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.0 p -78.78 -39.77 35.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 mtp 65.68 46.31 2.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' HB3' HG23 ' A' ' 41' ' ' VAL . 7.9 m-20 -118.09 102.48 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.3 t -63.72 -39.55 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.29 91.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 38' ' ' ASP . 30.8 t -71.52 -36.36 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.9 HD21 HD11 ' A' ' 66' ' ' ILE . 8.3 tp -62.14 -50.83 70.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 39' ' ' VAL . 32.1 t -56.62 -44.25 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.145 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.91 -56.06 26.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.788 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.675 ' HA ' HD12 ' A' ' 48' ' ' LEU . 59.7 m-20 -58.3 -55.54 33.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.099 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.662 HD23 ' CD1' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -53.04 -26.8 16.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' ASN . 16.1 tttm -73.83 -50.38 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 45' ' ' ASP . 2.5 mt -57.35 -33.19 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -89.04 -45.35 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.353 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.662 ' CD1' HD23 ' A' ' 46' ' ' LEU . 30.6 mt -88.39 14.3 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.506 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' LYS . 22.5 p-10 -55.49 -39.06 69.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 114.07 7.07 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.782 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -42.11 -30.55 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.948 2.432 . . . . 0.0 112.755 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -30.99 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 50' ' ' ILE . 17.2 mtt85 -88.67 -3.0 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.654 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 16.0 mt -53.39 -49.13 89.96 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 120.456 0.169 . . . . 0.0 111.341 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 52.9 Cg_exo -54.76 -24.54 38.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.344 2.029 . . . . 0.0 112.318 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.043 HD11 HG22 ' A' ' 13' ' ' VAL . 15.3 tp -58.26 -34.56 70.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -50.04 -37.94 35.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 21.2 t70 -53.76 -45.18 70.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.722 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.7 -26.56 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.415 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.649 HG22 HD12 ' A' ' 66' ' ' ILE . 34.4 mm -67.13 -34.79 71.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.225 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 4.2 mtm180 -57.24 -59.47 12.67 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CG ' HG11 ' A' ' 5' ' ' VAL . 65.1 Cg_exo -38.36 -48.41 2.43 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.305 2.67 . . . . 0.0 112.935 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -41.54 89.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.187 0.517 . . . . 0.0 110.119 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.9 HD11 HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -62.68 141.36 97.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.601 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.09 157.48 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.617 2.211 . . . . 0.0 112.729 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -72.88 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.62 54.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CB ' HG23 ' A' ' 66' ' ' ILE . 16.8 m170 -62.7 -36.63 83.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -60.18 -45.27 93.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.059 0.457 . . . . 0.0 110.423 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.4 t -58.93 -53.27 50.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.685 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -63.18 -37.99 89.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.3 t80 -54.06 -39.66 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.117 0.484 . . . . 0.0 109.744 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.69 -34.24 67.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.283 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.61 -29.87 70.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.3 mt -88.36 -28.45 20.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p -103.27 104.08 38.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.86 168.02 3.7 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.401 2.067 . . . . 0.0 112.348 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.818 0.342 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.23 168.54 9.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.15 134.32 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.27 -57.98 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.798 HG11 ' CB ' ' A' ' 64' ' ' PRO . 13.6 t -72.72 -26.13 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.38 80.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.203 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -50.56 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -60.23 -35.82 76.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 13' ' ' VAL . 24.2 t80 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -46.5 88.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -65.61 -41.81 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.654 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.701 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -59.23 -58.91 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 9' ' ' PHE . 33.1 t -53.04 -41.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.412 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.78 -40.04 72.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.194 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -68.87 -38.07 79.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.701 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -82.06 -56.7 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.992 -179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.692 HG22 ' H ' ' A' ' 19' ' ' ASN . 29.5 mm -68.31 -67.1 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 75.92 1.36 3.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.551 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.692 ' H ' HG22 ' A' ' 17' ' ' ILE . 3.0 t-20 -111.94 171.47 7.48 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.39 -36.87 7.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.03 16.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -59.56 -39.27 83.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HG2' HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -67.52 -30.65 70.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.87 -31.95 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.356 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.875 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -69.53 -49.4 54.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.586 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.4 pp -66.31 -34.84 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.796 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.0 -37.15 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -70.27 -36.54 74.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 25' ' ' TYR . 15.6 t -62.72 -49.3 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 62' ' ' ILE . 11.5 mt -62.47 -43.95 97.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.813 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -36.19 73.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.623 ' O ' HG23 ' A' ' 36' ' ' THR . 10.8 mmt -79.32 -35.78 40.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.781 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.597 ' HH ' ' CG ' ' A' ' 70' ' ' HIS . 50.6 t80 -58.85 -36.29 74.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -61.51 -53.6 54.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -74.76 -54.48 7.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 32' ' ' MET . 22.2 p -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.072 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.94 60.7 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -137.56 108.64 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 43' ' ' VAL . 28.2 t -65.42 -39.28 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.88 83.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.46 -36.39 48.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.259 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD21 HD11 ' A' ' 66' ' ' ILE . 31.9 tp -66.98 -52.09 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.654 HG22 ' CE1' ' A' ' 74' ' ' TYR . 31.9 t -65.84 -46.36 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.35 -52.13 53.48 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.645 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.772 ' HA ' HD12 ' A' ' 48' ' ' LEU . 3.7 t0 -63.4 -48.12 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 111.001 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.607 HD13 ' OH ' ' A' ' 74' ' ' TYR . 3.4 mt -56.95 -34.38 67.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.043 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -42.46 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 45' ' ' ASP . 13.9 mt -56.47 -53.09 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.983 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.3 p -65.75 -45.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.215 0.531 . . . . 0.0 110.566 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' A' ' 55' ' ' ARG . 81.2 mt -68.05 -86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.679 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.533 ' N ' HG22 ' A' ' 50' ' ' ILE . 1.1 m-80 52.51 33.93 14.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.62 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.635 ' H ' HG22 ' A' ' 50' ' ' ILE . 1.3 mt-10 -148.27 121.6 4.7 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.967 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' HD12 ' A' ' 56' ' ' LEU . 56.0 Cg_exo -51.77 -25.07 19.78 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.501 2.134 . . . . 0.0 112.307 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.4 p -67.77 -29.13 68.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.842 ' HB2' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -92.05 -17.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.322 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 53' ' ' PRO . 8.6 mt -43.08 -50.39 14.23 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.501 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 68.1 Cg_exo -50.78 -25.15 14.72 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.436 2.09 . . . . 0.0 112.312 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 62' ' ' ILE . 6.0 tt -56.28 -43.79 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.636 ' HA ' HD12 ' A' ' 62' ' ' ILE . 43.3 m-85 -50.23 -30.02 10.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.5 t70 -53.34 -51.7 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -21.13 61.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.517 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 58' ' ' LEU . 51.5 mt -72.12 -30.58 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.437 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -56.95 18.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.545 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.798 ' CB ' HG11 ' A' ' 5' ' ' VAL . 67.9 Cg_exo -40.64 -53.19 2.87 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.188 2.592 . . . . 0.0 113.399 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -66.44 -35.14 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.361 0.601 . . . . 0.0 110.045 179.351 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.702 HD11 HD21 ' A' ' 42' ' ' LEU . 3.3 mt -66.76 140.28 96.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.681 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.85 155.05 0.6 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.731 2.287 . . . . 0.0 112.759 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.43 -74.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -46.89 -36.94 8.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.222 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CG ' ' HH ' ' A' ' 33' ' ' TYR . 29.4 m170 -64.9 -38.51 91.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -59.87 -45.65 91.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.05 0.452 . . . . 0.0 110.643 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.93 -53.2 51.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.016 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -38.6 91.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.654 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.6 t80 -53.89 -40.45 66.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.15 0.5 . . . . 0.0 109.753 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.79 -32.78 65.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.536 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -31.54 72.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.04 -33.9 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.6 p -91.0 116.48 66.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.16 128.88 28.82 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.436 2.091 . . . . 0.0 112.268 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.822 0.344 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -167.12 134.43 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.56 -43.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -55.44 11.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.65 HG11 ' HG2' ' A' ' 64' ' ' PRO . 6.0 t -72.48 -26.4 24.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.02 -47.58 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.34 33.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.404 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -59.14 -32.26 69.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.403 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.676 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 14.1 t80 -60.21 -53.05 62.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -57.33 -43.25 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -66.97 -41.96 85.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.836 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -61.8 -58.87 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.988 HG22 HD21 ' A' ' 58' ' ' LEU . 26.7 t -52.69 -43.74 44.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.04 -41.54 99.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -50.77 47.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.836 HD11 ' HD3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -66.46 -66.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.76 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.757 HG22 ' H ' ' A' ' 19' ' ' ASN . 30.7 mt -71.14 -70.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.163 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 73.93 1.26 3.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.727 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.757 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.2 t30 -97.99 124.09 42.3 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.832 0.348 . . . . 0.0 110.955 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -60.23 -39.45 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.78 73.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.012 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.88 -38.5 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 26' ' ' LEU . 13.3 mtmt -65.26 -33.98 77.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.8 -31.67 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.798 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.3 t80 -68.93 -48.14 63.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.7 pp -65.81 -37.01 85.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -34.37 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.2 -40.4 78.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.597 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.967 HG12 HD12 ' A' ' 42' ' ' LEU . 21.5 t -61.89 -49.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.747 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.82 -37.79 83.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -64.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.75 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -31.27 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.598 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CG ' HD13 ' A' ' 42' ' ' LEU . 21.1 t80 -60.03 -34.19 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.682 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -39.57 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -74.8 -45.76 41.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.2 p -78.64 -37.59 41.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.038 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.1 mmt 62.06 54.57 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.414 ' HB3' HG23 ' A' ' 41' ' ' VAL . 1.9 t0 -128.06 99.44 5.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.82 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.542 HG22 ' OH ' ' A' ' 33' ' ' TYR . 21.3 t -59.9 -30.71 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.64 93.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 38' ' ' ASP . 22.5 t -73.51 -36.39 47.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.967 HD12 HG12 ' A' ' 29' ' ' VAL . 8.8 tp -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.103 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -55.79 -44.68 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.014 0.435 . . . . 0.0 111.088 -179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.447 ' N ' ' CG1' ' A' ' 43' ' ' VAL . . . -58.01 -59.01 11.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.579 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.517 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -61.18 -42.49 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.26 -33.09 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -73.98 -50.55 19.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.721 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 45' ' ' ASP . 22.6 mt -49.97 -38.39 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.408 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 50' ' ' ILE . 1.1 p -91.43 -46.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.474 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 50' ' ' ILE . 8.6 mt -89.95 24.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.598 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LYS . 16.5 p30 -57.01 -43.09 81.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.811 0.339 . . . . 0.0 111.037 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -43.9 116.59 2.42 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.446 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.601 ' HA ' HD12 ' A' ' 56' ' ' LEU . 80.8 Cg_exo -44.23 -50.31 7.88 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.906 2.404 . . . . 0.0 112.481 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -19.79 51.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.052 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.757 HH21 HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -86.44 -19.79 29.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.265 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 53' ' ' PRO . 14.9 mt -51.26 -48.97 84.35 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.566 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.485 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 83.4 Cg_exo -45.17 -28.5 3.52 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.547 2.164 . . . . 0.0 112.653 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.988 HD21 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -60.39 -29.9 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -50.16 -31.94 14.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 5.1 t70 -53.74 -47.62 70.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -72.37 -19.55 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD13 ' HE2' ' A' ' 9' ' ' PHE . 31.3 mm -73.09 -43.25 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -56.66 -52.77 71.04 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.4 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HG2' HG11 ' A' ' 5' ' ' VAL . 75.1 Cg_exo -39.46 -52.2 2.54 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.972 2.448 . . . . 0.0 113.017 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.64 -30.67 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.488 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -70.92 152.48 95.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HB2' ' CG ' ' A' ' 70' ' ' HIS . 50.6 Cg_exo -53.35 157.68 8.64 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.09 -72.17 0.05 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -30.21 49.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 67' ' ' PRO . 10.2 m170 -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.88 -50.53 70.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.046 0.451 . . . . 0.0 110.569 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 t -58.95 -48.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.88 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -67.14 -37.19 83.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -53.93 -43.69 70.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.173 0.511 . . . . 0.0 109.767 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.75 -31.17 64.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.484 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -65.58 -32.75 74.5 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.0 mt -85.01 -35.51 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.9 p -91.17 126.12 56.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.05 156.45 59.89 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.532 2.155 . . . . 0.0 112.272 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.883 0.373 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -177.86 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.806 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.8 172.56 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.84 -58.22 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.233 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.907 HG11 ' CB ' ' A' ' 64' ' ' PRO . 2.7 t -74.8 -26.04 19.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.693 0.283 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.84 70.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.23 -54.81 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.427 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -59.3 -33.09 70.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.461 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -60.19 -53.81 53.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -39.49 73.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.695 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -35.39 70.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.692 ' HD3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.28 -58.71 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.034 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.647 HG13 HD11 ' A' ' 58' ' ' LEU . 46.9 t -54.43 -46.22 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -57.92 -44.34 86.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.92 -36.5 78.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.692 HD11 ' HD3' ' A' ' 12' ' ' LYS . 26.7 mt -78.93 -73.95 0.31 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 19' ' ' ASN . 28.8 mt -73.27 -66.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.206 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 76.41 1.36 3.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.578 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.645 ' H ' HG22 ' A' ' 17' ' ' ILE . 21.9 m-20 -92.05 118.63 30.99 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.836 0.35 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -59.38 -35.18 73.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.96 76.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.493 ' HB3' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -63.72 -34.14 77.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.804 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -69.82 -33.7 72.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -72.78 -33.69 66.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.488 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -69.68 -50.08 47.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.548 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.543 HD12 ' C ' ' A' ' 26' ' ' LEU . 3.1 pp -64.52 -31.99 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.799 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.4 m-85 -69.92 -37.68 75.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.591 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 -42.59 89.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 HD12 ' A' ' 42' ' ' LEU . 29.2 t -62.89 -44.11 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mt -66.64 -45.42 79.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.673 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -55.48 -38.39 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 mtp -81.24 -28.36 34.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.622 ' CG ' HD13 ' A' ' 42' ' ' LEU . 66.5 t80 -66.75 -27.0 67.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.93 -52.46 49.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.403 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -36.06 62.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.59 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.3 p -78.54 -44.53 24.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.351 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.5 mmt 64.39 43.07 4.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -111.13 98.1 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.6 t -62.25 -40.58 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -39.85 75.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.005 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.48 -36.39 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' A' ' 33' ' ' TYR . 12.5 tp -62.02 -50.58 71.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 39' ' ' VAL . 22.3 t -57.24 -39.58 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.287 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.84 -59.14 10.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.487 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -63.36 -30.7 71.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD13 ' OH ' ' A' ' 74' ' ' TYR . 5.5 mt -58.51 -50.31 74.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -69.69 -35.43 75.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 45' ' ' ASP . 62.0 mt -56.02 -53.11 60.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -65.91 -46.65 87.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.109 0.481 . . . . 0.0 110.566 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.868 HG23 ' HB2' ' A' ' 55' ' ' ARG . 34.3 mm -62.92 -86.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.611 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.16 18.15 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.738 ' H ' HG22 ' A' ' 50' ' ' ILE . 4.0 mm-40 -141.43 119.43 7.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.643 0.258 . . . . 0.0 111.022 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -51.09 -23.87 13.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.589 2.192 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -67.54 -27.3 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.868 ' HB2' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -92.08 -12.99 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.488 -179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 8.0 mt -44.37 -50.71 21.81 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 56' ' ' LEU . 51.6 Cg_exo -53.68 -23.53 26.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.232 1.955 . . . . 0.0 112.309 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.647 HD11 HG13 ' A' ' 13' ' ' VAL . 3.6 tt -60.72 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.577 ' HA ' HD12 ' A' ' 62' ' ' ILE . 32.2 m-85 -50.3 -33.93 21.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 1.6 m-20 -53.78 -47.89 70.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -18.81 61.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.838 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 59' ' ' PHE . 42.6 mt -73.74 -42.98 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -57.46 -52.07 76.98 Favored Pre-proline 0 N--CA 1.468 0.457 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.907 ' CB ' HG11 ' A' ' 5' ' ' VAL . 68.5 Cg_exo -40.46 -53.53 2.64 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.085 2.524 . . . . 0.0 114.252 -178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -66.05 -21.44 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.285 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -77.74 151.18 79.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 66' ' ' ILE . 88.4 Cg_exo -48.55 157.39 1.44 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.86 2.373 . . . . 0.0 112.764 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.59 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.023 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -46.22 -33.45 3.66 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.449 ' CG ' ' HH ' ' A' ' 33' ' ' TYR . 28.5 m170 -68.21 -35.91 78.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' CG ' HG22 ' A' ' 66' ' ' ILE . 4.8 mt-30 -60.66 -47.46 86.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -59.33 -54.76 29.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.932 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.3 -37.76 86.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.493 ' OH ' HD13 ' A' ' 46' ' ' LEU . 21.1 t80 -54.01 -41.2 67.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.184 0.516 . . . . 0.0 109.719 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.68 -31.8 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.487 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -65.53 -31.88 73.18 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 39' ' ' VAL . 8.4 mt -90.41 -31.34 16.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p -104.35 92.88 5.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.28 -168.01 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.63 2.22 . . . . 0.0 112.265 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.817 0.341 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.778 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 28.7 m-20 -106.92 147.17 30.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -62.21 -76.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.39 -58.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.864 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.806 HG21 ' HB3' ' A' ' 64' ' ' PRO . 6.5 t -74.84 -27.37 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.778 ' HB3' ' HB3' ' A' ' 2' ' ' ASP . . . -57.1 -42.23 80.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -67.86 -45.83 73.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.686 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.7 -30.22 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.832 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.802 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.2 t80 -65.67 -52.56 50.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.72 -42.14 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.867 0.365 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -69.5 -47.3 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.547 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.56 -33.55 76.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 0.0 111.182 -179.492 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 9' ' ' PHE . 61.1 t -65.87 -50.51 69.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.817 0.341 . . . . 0.0 110.472 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -34.15 73.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.651 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.99 -50.74 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -73.15 -66.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.637 HG22 ' H ' ' A' ' 19' ' ' ASN . 20.7 mt -73.76 -70.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 74.63 1.26 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.759 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -97.76 123.72 41.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -62.99 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.97 -43.34 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -65.71 -39.93 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.764 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -67.12 -35.35 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.679 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.41 -35.33 77.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.239 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.5 OUTLIER -67.21 -52.39 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.586 179.627 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 27' ' ' TYR . 4.3 pp -62.52 -30.2 71.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.623 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.771 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -67.27 -41.43 85.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.02 0.438 . . . . 0.0 110.506 179.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.89 -40.9 95.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.551 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 25' ' ' TYR . 21.8 t -60.18 -46.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.51 -45.01 89.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -58.37 -38.83 78.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.571 ' O ' HG23 ' A' ' 36' ' ' THR . 4.6 mtp -79.19 -31.75 43.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.761 ' CE2' HD22 ' A' ' 42' ' ' LEU . 28.2 t80 -64.09 -30.1 71.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.817 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -70.14 -47.69 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.78 -37.37 62.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.0 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 32' ' ' MET . 68.4 p -78.64 -40.51 34.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.13 30.49 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.697 ' HB3' HG23 ' A' ' 41' ' ' VAL . 42.8 m-20 -103.27 99.72 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 43' ' ' VAL . 14.2 t -59.38 -40.02 80.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.06 77.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.182 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.697 HG23 ' HB3' ' A' ' 38' ' ' ASP . 25.4 t -73.5 -36.38 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD22 ' CE2' ' A' ' 33' ' ' TYR . 28.7 tp -67.34 -45.96 74.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 39' ' ' VAL . 24.0 t -60.7 -48.32 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.25 -56.24 26.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.598 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.654 ' HA ' HD12 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -60.17 -29.95 69.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.335 . . . . 0.0 111.029 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.628 HD12 ' HG ' ' A' ' 42' ' ' LEU . 2.7 mt -66.95 -37.55 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -72.45 -44.56 62.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.8 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 45' ' ' ASP . 5.4 mt -56.02 -53.12 60.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.231 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 50' ' ' ILE . 2.2 p -61.11 -46.25 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.164 0.507 . . . . 0.0 110.44 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.911 HG23 ' HB2' ' A' ' 55' ' ' ARG . 17.6 mm -68.35 -88.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.421 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 50' ' ' ILE . 7.0 m-20 57.54 21.88 7.54 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.631 ' H ' HG22 ' A' ' 50' ' ' ILE . 16.2 mm-40 -147.62 124.2 5.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 111.124 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 76.2 Cg_exo -49.44 -24.73 9.32 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.727 2.285 . . . . 0.0 112.8 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -61.62 -33.27 73.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.911 ' HB2' HG23 ' A' ' 50' ' ' ILE . 13.5 mtt85 -92.37 -8.3 45.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.007 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 57' ' ' PRO . 11.6 mt -45.33 -60.15 3.59 Favored Pre-proline 0 CA--C 1.531 0.223 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 56' ' ' LEU . 9.2 Cg_endo -52.65 -23.59 20.37 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.486 2.124 . . . . 0.0 112.403 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.617 HD23 HD11 ' A' ' 62' ' ' ILE . 1.6 tt -57.48 -35.92 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -52.75 -35.03 55.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.516 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 3.5 m-20 -53.9 -47.32 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.127 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' CE ' ' A' ' 12' ' ' LYS . . . -72.04 -20.79 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.747 ' HA ' HD21 ' A' ' 65' ' ' LEU . 35.1 mt -74.53 -38.58 46.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 0.6 OUTLIER -57.88 -55.11 48.45 Favored Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.569 -179.28 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.806 ' HB3' HG21 ' A' ' 5' ' ' VAL . 45.4 Cg_exo -38.72 -53.6 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.323 2.682 . . . . 0.0 114.009 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.747 HD21 ' HA ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -66.73 -34.06 77.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.133 0.492 . . . . 0.0 110.7 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.655 HD11 HD21 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.51 144.63 92.19 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.005 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -49.64 157.56 2.34 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.769 2.313 . . . . 0.0 112.796 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -74.13 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -33.93 23.9 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.466 ' CB ' HG23 ' A' ' 66' ' ' ILE . 17.1 m170 -64.72 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.464 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' A' ' 66' ' ' ILE . 30.6 mt-30 -59.8 -43.18 94.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.409 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.41 -55.5 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.76 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -32.64 74.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.391 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -55.19 -43.17 74.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.212 0.529 . . . . 0.0 109.781 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -72.83 -33.93 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.426 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.27 -32.0 72.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 43' ' ' VAL . 3.3 mt -92.8 -35.55 13.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 42.2 p -103.64 92.99 4.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.11 -170.1 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.56 2.174 . . . . 0.0 112.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 mtp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.745 0.307 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.2 -47.55 19.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.96 129.2 35.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.39 -47.95 0.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG11 ' CG ' ' A' ' 64' ' ' PRO . 11.6 t -74.76 -25.95 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.9 75.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.8 -54.79 40.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.695 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.82 -32.81 73.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.428 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.888 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.7 t80 -60.1 -52.27 66.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.647 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -60.77 -37.33 81.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.739 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -66.37 -43.96 84.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.203 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 16' ' ' LEU . 42.9 mttt -67.09 -50.74 60.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.196 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 9' ' ' PHE . 23.8 t -52.32 -48.76 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.34 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -69.31 -30.69 68.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.813 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -68.93 -50.88 45.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.857 HD11 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -82.41 -39.82 22.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.518 -179.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.84 HD12 HG13 ' A' ' 13' ' ' VAL . 8.3 mt -89.99 -74.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 71.89 1.49 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.883 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.553 ' H ' HG22 ' A' ' 17' ' ' ILE . 43.2 m-20 -97.82 152.71 18.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -82.53 -37.85 24.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.08 75.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.002 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -35.06 79.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.716 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HA ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -69.86 -38.53 76.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.756 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -33.67 75.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.544 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.655 ' HB3' HG21 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -67.05 -52.14 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 23' ' ' LYS . 1.1 pp -62.28 -32.09 72.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.72 78.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.526 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -38.39 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.696 HG12 HD12 ' A' ' 42' ' ' LEU . 21.4 t -63.17 -53.28 48.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mt -60.67 -46.19 91.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.673 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -56.9 -36.65 70.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.665 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 72.3 mtp -79.85 -32.34 40.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.546 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.646 ' HB2' HD13 ' A' ' 42' ' ' LEU . 70.9 t80 -62.2 -31.2 71.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -72.14 -45.07 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.62 -42.8 57.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -77.4 -45.04 27.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mmt 61.57 58.6 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' HB3' ' A' ' 40' ' ' ALA . 9.9 t70 -141.3 105.9 4.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.0 t -60.45 -29.91 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . . . -59.69 -52.53 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.587 HG23 ' OD2' ' A' ' 38' ' ' ASP . 21.5 t -66.31 -36.41 77.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.188 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.696 HD12 HG12 ' A' ' 29' ' ' VAL . 13.3 tp -58.27 -41.71 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 39' ' ' VAL . 25.5 t -60.39 -44.23 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.56 -57.02 21.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.563 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.862 ' HA ' HD12 ' A' ' 48' ' ' LEU . 5.5 m-20 -62.8 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.545 HD11 HG21 ' A' ' 62' ' ' ILE . 13.6 mt -55.09 -33.98 63.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -73.55 -50.3 22.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.862 HD12 ' HA ' ' A' ' 45' ' ' ASP . 7.7 mt -50.03 -37.59 33.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.283 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.655 HG21 ' HB3' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -92.13 -45.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.278 -179.694 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 50' ' ' ILE . 13.3 mt -90.66 24.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.681 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LYS . 12.0 p30 -62.29 -46.86 86.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -44.03 119.03 3.19 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HA ' HD12 ' A' ' 56' ' ' LEU . 88.5 Cg_exo -42.96 -52.31 4.81 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.916 2.411 . . . . 0.0 112.594 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.5 p -64.77 -21.41 66.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.925 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.585 ' NH1' HG22 ' A' ' 49' ' ' VAL . 1.3 ttt180 -89.13 -15.72 33.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.241 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.539 ' HA ' HG22 ' A' ' 50' ' ' ILE . 34.7 mt -52.03 -46.44 93.02 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.7 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' LEU . 85.0 Cg_exo -45.24 -25.65 2.05 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.497 2.131 . . . . 0.0 112.888 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -53.16 -32.28 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.248 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -50.37 -33.76 21.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 t0 -53.64 -49.78 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.772 ' HB1' ' CD2' ' A' ' 9' ' ' PHE . . . -71.65 -17.95 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.801 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 46' ' ' LEU . 25.3 mm -74.54 -40.09 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.595 ' HB2' ' HD3' ' A' ' 64' ' ' PRO . 6.6 mtt85 -57.45 -52.67 72.53 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.614 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.668 ' CG ' HG11 ' A' ' 5' ' ' VAL . 86.9 Cg_exo -41.48 -52.6 3.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.94 2.427 . . . . 0.0 113.159 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 61' ' ' ALA . 2.3 mp -63.82 -23.12 67.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.323 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.512 HG22 ' HG2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -75.97 143.7 74.63 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.078 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' HG13 ' A' ' 66' ' ' ILE . 72.1 Cg_exo -50.1 157.87 2.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.681 2.254 . . . . 0.0 112.486 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -65.87 0.49 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -58.25 -32.67 68.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 74' ' ' TYR . 11.3 m170 -63.63 -30.12 71.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.975 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 66' ' ' ILE . 23.4 mt-30 -60.77 -50.14 74.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.092 0.472 . . . . 0.0 110.406 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.55 -50.47 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.581 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.97 -32.24 73.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.424 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.714 ' O ' HG23 ' A' ' 78' ' ' THR . 58.3 t80 -58.86 -40.11 83.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.63 -32.3 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.287 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -65.07 -29.74 70.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD12 ' CG1' ' A' ' 39' ' ' VAL . 87.1 mt -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 74' ' ' TYR . 52.5 p -74.94 154.38 86.83 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 78' ' ' THR . 25.7 Cg_endo -62.06 -166.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.581 2.187 . . . . 0.0 112.315 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 -179.965 . . . . . . . . 0 0 . 1 stop_ save_