data_1jo5_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 1jo5 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 114.044 0.378 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.408 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 2.8 pp -90.06 11.17 21.53 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.44 0.62 . . . . 0.0 111.515 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -69.72 -52.02 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.268 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.55 -42.03 86.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.075 0.464 . . . . 0.0 110.165 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.53 -36.99 82.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 109.947 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.32 -48.24 80.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.52 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.19 -54.94 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.203 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.82 -40.26 94.65 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.186 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.84 -47.4 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.362 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.04 -39.65 79.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.29 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 81.4 t60 -62.5 -53.55 53.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 0.0 111.203 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -62.36 -43.62 98.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.599 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' GLY . 27.4 m -69.23 -38.44 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.648 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -59.21 -48.04 83.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.466 ' CE ' ' CE1' ' A' ' 20' ' ' HIS . 63.1 mtt -71.75 -46.8 57.32 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.185 0.517 . . . . 0.0 110.751 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -55.81 -34.32 65.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.62 60.09 0.64 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.917 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.6 tp -51.11 -31.7 20.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -77.07 -4.03 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.363 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.83 -26.23 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.58 -37.65 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -58.06 -40.66 81.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.25 -42.56 79.5 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.135 0.969 . . . . 0.0 108.494 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 t -58.7 -39.48 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.4 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.78 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.3 mt -59.47 -47.79 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.21 -50.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 110.814 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.12 78.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.354 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.56 -51.44 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 94.2 mt -63.02 -39.21 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.204 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.07 80.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.21 -40.78 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.97 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.81 -30.5 65.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 43' ' ' ILE . 76.3 mt -81.29 -25.52 10.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.899 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -79.93 -31.88 40.09 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.616 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.7 mmt180 -53.37 -50.9 80.22 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 3.3 Cg_exo -76.64 -3.37 13.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.703 2.269 . . . . 0.0 112.554 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.77 -40.97 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.442 0.639 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.2 p90 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.735 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 120.393 -0.115 . . . . 0.0 113.08 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -74.99 -2.26 26.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.746 0.273 . . . . 0.0 111.726 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -68.64 -56.31 8.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.63 -41.52 95.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.135 0.493 . . . . 0.0 110.235 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.0 -36.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.035 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.373 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.7 93.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.758 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -62.92 -44.14 96.9 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.673 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.98 -40.53 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.1 -36.91 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -61.63 -53.0 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.717 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -61.52 -43.27 99.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLY . 61.2 t -68.08 -38.45 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.74 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' OH ' ' CG ' ' A' ' 30' ' ' PHE . 5.1 t80 -60.35 -47.71 84.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.27 -47.3 57.81 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.373 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -56.05 -34.39 65.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -127.32 55.65 0.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.451 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.7 pp -46.24 -26.44 0.79 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.407 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.5 p-90 -53.52 -24.83 14.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.341 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.407 ' CG ' ' OH ' ' A' ' 23' ' ' TYR . 1.3 t80 -59.87 -37.9 80.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.147 0.499 . . . . 0.0 110.565 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 35' ' ' ILE . . . -68.87 -39.86 79.6 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 122.303 1.049 . . . . 0.0 108.72 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.4 t -59.37 -47.33 90.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.791 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . -66.37 -48.48 70.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.921 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 32' ' ' ALA . 12.2 tt -61.74 -50.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.103 0.478 . . . . 0.0 110.988 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 35' ' ' ILE . 93.8 t -58.13 -43.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.854 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.11 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 87.4 m-70 -59.05 -51.22 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.095 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.1 pp -65.35 -36.57 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' CD1' ' A' ' 39' ' ' LEU . . . -57.28 -48.06 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.093 0.473 . . . . 0.0 110.229 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.591 ' HA ' ' CE2' ' A' ' 44' ' ' TRP . 47.8 t -63.61 -40.64 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.5 m-30 -57.92 -29.81 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.816 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.4 mm -78.62 -45.12 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.217 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.591 ' CE2' ' HA ' ' A' ' 41' ' ' VAL . 1.4 p90 -90.72 -4.94 56.34 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.072 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.54 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -55.06 -50.68 85.1 Favored Pre-proline 0 C--N 1.332 -0.17 0 C-N-CA 121.346 -0.142 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 95.7 Cg_endo -82.14 -1.04 10.59 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.472 2.115 . . . . 0.0 112.496 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.423 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -89.3 -41.09 12.37 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.279 0.561 . . . . 0.0 110.929 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.8 m-30 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.774 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 120.391 -0.116 . . . . 0.0 112.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.4 -33.43 67.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.867 0.333 . . . . 0.0 111.114 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.3 t -70.34 -51.45 29.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.381 0.61 . . . . 0.0 110.884 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.434 ' N ' ' CG2' ' A' ' 12' ' ' THR . 36.8 t70 -64.37 -40.27 95.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.295 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.76 -43.45 79.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.568 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 12' ' ' THR . 19.5 pt20 -65.47 -48.05 73.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 15' ' ' GLN . . . -60.05 -54.41 46.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 111.376 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.62 -44.33 96.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.397 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.56 -51.17 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.54 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' HG21 ' A' ' 22' ' ' VAL . 91.8 mt -69.29 -44.35 71.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -60.48 -52.99 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.949 0.404 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 t -61.87 -43.42 98.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.056 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 19' ' ' LEU . 33.0 m -68.75 -39.0 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 19' ' ' LEU . 14.4 m-30 -61.82 -47.46 84.98 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.804 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.7 ttp -71.49 -47.46 55.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.722 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.9 t -56.46 -34.75 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.358 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.21 55.54 0.74 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.975 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' TYR . 62.5 tp -68.29 -34.12 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.6 p-90 -77.49 -3.89 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.05 -45.88 76.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.92 -37.98 77.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -60.15 -40.82 91.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' HG21 ' A' ' 35' ' ' ILE . . . -68.47 -40.33 81.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 122.041 0.924 . . . . 0.0 109.092 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' VAL . 17.8 t -60.66 -46.43 95.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.977 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.77 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.792 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.433 HG21 ' O ' ' A' ' 32' ' ' ALA . 11.9 tt -65.1 -50.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.796 0.332 . . . . 0.0 111.559 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' N ' HG23 ' A' ' 35' ' ' ILE . 12.5 p -58.03 -47.88 85.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.99 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.624 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -59.35 -45.87 90.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.494 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.4 mt -59.18 -49.09 79.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.416 ' CB ' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.68 -48.31 77.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 110.586 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 45' ' ' ARG . 51.4 t -63.75 -38.49 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.002 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.88 -30.35 67.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.671 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 44.3 mm -77.37 -40.26 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.095 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.416 ' CZ3' ' CB ' ' A' ' 40' ' ' ALA . 5.3 m-90 -89.73 -4.69 57.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.934 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 4.7 tmm_? -66.09 -47.55 61.96 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 55.5 Cg_endo -89.28 -10.75 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.513 2.142 . . . . 0.0 113.319 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 22.2 m95 -94.17 -41.58 9.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.281 0.562 . . . . 0.0 111.04 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.946 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.636 -0.185 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -90.93 11.43 22.79 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -69.43 -51.48 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.492 0.187 . . . . 0.0 111.268 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -58.96 -41.97 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.74 -37.88 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.864 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -62.4 -48.24 80.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.63 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.98 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.34 -44.19 97.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.269 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.198 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 96.5 mt -68.53 -42.08 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.127 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -59.02 -52.23 66.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.412 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.435 ' HA ' ' OG ' ' A' ' 25' ' ' SER . 67.1 t -66.86 -39.14 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.282 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.7 m-30 -64.12 -47.38 80.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.377 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.5 tpp -71.12 -48.06 54.41 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 111.104 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 96.3 p -59.54 -34.57 72.83 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -81.27 -59.05 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.958 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 3.3 pp 45.6 21.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -130.35 22.15 5.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.309 . . . . 0.0 110.777 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.05 -28.47 68.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.789 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -58.73 -37.83 77.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.211 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -59.41 -40.85 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.48 -40.63 80.88 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 122.02 0.914 . . . . 0.0 108.92 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 t -59.28 -45.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.933 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.34 -48.36 70.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.919 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 36' ' ' VAL . 11.6 tt -67.21 -50.54 62.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 111.265 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 80.2 t -60.64 -52.23 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.33 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -58.62 -50.42 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.06 -46.37 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.977 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -57.6 -48.13 80.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.9 t -66.58 -42.37 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.027 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.59 -30.83 67.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 40' ' ' ALA . 39.8 pt -86.91 -27.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.694 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -88.4 -27.13 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.431 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.513 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 59.2 ttp85 -59.37 -50.37 87.72 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 87.5 Cg_endo -79.72 -8.28 14.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.366 2.044 . . . . 0.0 112.817 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -93.96 -41.51 9.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.273 0.559 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.644 -179.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.318 0 CA-C-O 120.407 -0.107 . . . . 0.0 113.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.15 -15.37 45.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.861 0.331 . . . . 0.0 111.501 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.6 p -68.5 -56.75 7.32 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.733 0.302 . . . . 0.0 111.053 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.12 -41.57 92.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 0.0 110.425 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.85 -36.96 85.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -61.29 -48.06 83.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.568 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.93 92.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.82 -44.64 95.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.469 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -51.09 64.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.677 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 86.2 mt -67.95 -45.04 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.9 -48.64 80.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -61.67 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.72 -38.89 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.011 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 10.9 m-30 -60.91 -47.57 85.78 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.743 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.31 -47.38 57.05 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.05 0.452 . . . . 0.0 110.697 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -56.4 -34.74 67.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.238 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.39 58.06 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.88 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 2.5 pp -52.36 -25.81 10.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 111.332 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 30.1 t90 -70.63 -16.06 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.762 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.3 -25.65 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.49 -37.79 76.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -61.18 -41.49 96.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.74 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.408 ' O ' HG21 ' A' ' 35' ' ' ILE . . . -68.38 -40.86 81.24 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 122.103 0.954 . . . . 0.0 108.665 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.79 -42.95 90.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 113.824 -1.535 . . . . 0.0 110.745 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -48.35 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.587 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 36' ' ' VAL . 8.8 tp -67.21 -50.23 65.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.975 0.416 . . . . 0.0 110.969 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' N ' HG23 ' A' ' 35' ' ' ILE . 67.3 t -59.07 -48.79 85.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.653 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.75 90.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -59.32 -43.92 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.578 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.76 -45.46 78.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.16 78.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 42' ' ' TYR . 8.6 p -63.39 -38.42 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.215 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.416 ' N ' HG12 ' A' ' 41' ' ' VAL . 1.3 t80 -59.93 -30.85 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 HD13 HG21 ' A' ' 43' ' ' ILE . 75.5 mt -81.48 -24.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.954 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -68.75 -32.91 73.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.775 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.744 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 78.7 ttt180 -65.04 -54.95 30.22 Favored Pre-proline 0 CA--C 1.531 0.225 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 6.4 Cg_exo -74.15 -6.27 18.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.445 2.096 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 3.3 t-105 -90.42 -41.34 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.138 0.494 . . . . 0.0 110.781 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 47' ' ' TRP . 16.9 p90 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 113.979 0.351 . . . . 0.0 113.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 2.8 pp -90.12 11.47 20.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.496 0.648 . . . . 0.0 111.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -69.84 -51.96 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.28 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -58.77 -41.99 87.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.108 0.48 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -67.6 -37.62 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.808 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -61.77 -48.23 81.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.614 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.06 -54.99 37.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.162 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.16 -39.3 92.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.184 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.99 -47.81 81.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.291 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.14 -39.9 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.246 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.477 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 81.1 t60 -62.3 -53.66 51.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 111.188 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -62.05 -43.76 98.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.653 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' GLY . 27.2 m -69.11 -38.48 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.76 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -58.78 -47.84 83.31 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.759 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.477 ' CE ' ' CE1' ' A' ' 20' ' ' HIS . 63.3 mtt -71.5 -47.03 58.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.73 178.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -56.2 -34.56 66.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.154 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.86 59.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.982 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.1 tp -51.09 -31.9 20.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -75.25 -6.21 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.287 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.09 -26.14 64.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.705 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.62 -37.63 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.419 . . . . 0.0 110.647 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 t -57.98 -40.64 81.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.19 -42.57 79.73 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.993 0.901 . . . . 0.0 108.582 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.89 -39.41 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.482 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.97 76.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.662 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.427 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -59.34 -47.71 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.4 -50.74 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.754 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.08 -49.08 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.319 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.83 -51.24 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -62.58 -39.48 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.56 81.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.418 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.23 -41.36 92.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.016 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.99 -30.72 66.27 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.426 HG21 HD12 ' A' ' 43' ' ' ILE . 76.1 mt -81.04 -24.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.844 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 3.7 t-105 -80.41 -31.49 37.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.675 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.649 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.6 mmt180 -53.5 -50.67 81.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.649 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 2.7 Cg_exo -76.33 -4.27 14.85 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.445 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.46 -40.92 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.237 0.541 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.3 p90 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.773 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.51 0 N-CA-C 112.803 -0.119 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -90.89 22.86 3.4 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.7 t -69.06 -53.1 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.45 0.643 . . . . 0.0 110.72 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.409 ' N ' ' CG2' ' A' ' 12' ' ' THR . 12.2 p-10 -64.76 -38.66 91.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.237 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.5 -42.87 86.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.265 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 12' ' ' THR . 17.7 pt20 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.07 38.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.251 0.548 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.57 -38.3 89.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.41 -49.93 73.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 91.3 mt -68.55 -41.07 80.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -59.31 -48.89 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.464 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.82 -43.18 99.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.8 -38.83 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.1 m-30 -65.09 -47.25 77.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.413 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.85 -48.16 55.44 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.019 0.438 . . . . 0.0 111.024 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.3 p -59.83 -34.63 73.34 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.437 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -85.75 -15.97 64.57 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.738 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 3.6 pp 43.38 22.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.426 ' CE3' ' HA3' ' A' ' 26' ' ' GLY . 5.3 m-90 -95.93 44.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.93 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.8 p90 -63.0 -37.59 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -57.4 -40.3 77.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.739 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 35' ' ' ILE . . . -68.36 -37.67 80.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.872 0.844 . . . . 0.0 109.122 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.1 t -63.04 -45.98 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.146 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.28 79.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.677 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -66.91 -50.29 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.522 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.413 ' N ' HG22 ' A' ' 35' ' ' ILE . 13.1 p -58.35 -47.16 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -58.92 -42.87 90.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.9 mt -68.01 -45.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.019 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.58 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.82 -39.54 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.957 0.408 . . . . 0.0 110.406 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.97 -30.44 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.641 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.5 mm -81.65 -29.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.193 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -83.24 -37.64 23.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.806 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.537 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 79.2 ttt180 -50.29 -47.52 82.54 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 5.3 Cg_exo -78.17 -5.37 15.05 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.795 2.33 . . . . 0.0 112.574 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -89.79 -41.36 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.311 0.577 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.929 179.751 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.186 0 N-CA-C 112.014 -0.435 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' HD21 ' A' ' 11' ' ' LEU . 2.3 mm? -90.59 62.17 5.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.172 0.51 . . . . 0.0 110.896 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.5 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 37.8 p -66.06 -40.54 91.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.288 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -63.81 -41.17 97.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 62.9 mm-40 -64.02 -45.8 87.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.54 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.5 ' HG2' ' HA ' ' A' ' 12' ' ' THR . 16.4 pt20 -65.01 -36.35 84.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.81 91.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.411 0.624 . . . . 0.0 110.227 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.69 -38.58 90.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.188 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.2 -38.73 87.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HA ' HG12 ' A' ' 22' ' ' VAL . 90.2 mt -68.25 -41.45 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.102 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -62.22 -45.4 93.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.542 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.9 p -61.78 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 19' ' ' LEU . 8.5 p -69.21 -38.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.667 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.46 -46.92 85.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -70.63 -47.26 60.95 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.13 33.34 6.33 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.112 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.64 -24.62 14.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.544 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -87.73 32.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.518 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.8 tp -67.08 -38.89 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.762 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 71.1 t80 -61.8 -37.32 83.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.7 m -57.42 -40.37 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.03 81.24 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.92 0.867 . . . . 0.0 108.818 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.7 t -62.73 -42.94 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.917 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.427 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 36' ' ' VAL . 24.2 pt -62.7 -46.18 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.189 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.447 ' N ' HG13 ' A' ' 35' ' ' ILE . 67.7 t -59.28 -48.33 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.769 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.23 93.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -58.96 -52.36 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.181 0.515 . . . . 0.0 110.627 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.9 mt -59.18 -45.06 92.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.689 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.84 79.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.2 t -63.32 -44.82 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.73 -30.42 65.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.426 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 74.0 mt -79.8 -25.39 12.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.907 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.425 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 31.9 t90 -87.77 -5.05 58.83 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.651 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.555 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 47.2 mmm-85 -60.01 -47.31 97.34 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 13.8 Cg_exo -69.35 -10.54 29.15 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.52 2.146 . . . . 0.0 112.437 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.425 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 18.9 m95 -91.21 -41.33 11.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.291 0.567 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.89 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 2.7 pp -61.44 -19.03 61.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.285 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 40.3 p -70.13 -43.08 71.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.975 0.417 . . . . 0.0 111.702 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.02 -41.67 90.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.98 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 11' ' ' LEU . 24.7 pt-20 -67.17 -42.29 84.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.156 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 12' ' ' THR . 18.0 pt20 -64.14 -43.92 93.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.722 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -61.87 -36.12 80.33 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.79 -49.9 74.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.32 -44.61 78.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.378 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -59.81 -42.03 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.9 m -61.75 -43.14 99.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.678 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.0 t -66.33 -38.91 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -61.18 -47.33 86.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.8 ttt -70.98 -47.42 59.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m -56.63 -34.92 67.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.168 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.24 41.67 2.07 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.579 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -58.34 -23.67 57.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.692 0.282 . . . . 0.0 111.197 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.406 ' O ' ' CG ' ' A' ' 28' ' ' TRP . 27.3 t90 -96.58 14.66 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.167 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.25 -32.52 73.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -58.88 -37.88 77.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' ' NE1' ' A' ' 28' ' ' TRP . 55.7 m -61.75 -40.7 96.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' HG21 ' A' ' 35' ' ' ILE . . . -68.37 -40.32 81.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 122.031 0.92 . . . . 0.0 108.754 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.47 -42.44 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.47 -48.25 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.746 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 32' ' ' ALA . 12.2 tt -65.74 -50.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.981 0.42 . . . . 0.0 111.347 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.427 ' N ' HG23 ' A' ' 35' ' ' ILE . 32.6 m -58.89 -46.49 91.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -58.63 -44.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 43' ' ' ILE . 87.5 mt -66.59 -45.47 79.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' CB ' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.58 -48.32 77.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.72 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.444 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.46 -30.62 68.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.3 mm -77.56 -39.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.018 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.438 ' CZ3' ' CB ' ' A' ' 40' ' ' ALA . 6.2 m-90 -83.25 -14.96 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.592 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 3.0 tpm_? -57.09 -53.15 68.33 Favored Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 121.267 -0.173 . . . . 0.0 110.798 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 89.3 Cg_endo -78.68 -4.22 13.9 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.342 2.028 . . . . 0.0 112.491 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -93.85 -41.38 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.269 0.557 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.884 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 120.474 -0.07 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.86 -3.6 29.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.829 0.314 . . . . 0.0 111.73 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.9 p -68.56 -56.57 7.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.4 -41.47 93.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.452 . . . . 0.0 110.238 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.08 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.971 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.16 -48.17 82.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.331 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.02 94.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.724 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.59 -44.1 97.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.623 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -62.05 -40.82 97.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.719 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.95 -36.84 78.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -61.54 -53.11 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.55 -43.19 99.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' GLY . 60.9 t -67.98 -38.47 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.94 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -70.92 -47.44 59.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.157 0.503 . . . . 0.0 110.416 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 t -56.32 -34.84 66.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -126.08 54.3 0.76 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 114.9 -1.046 . . . . 0.0 112.494 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 28' ' ' TRP . 2.6 pp -46.28 -26.43 0.8 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.408 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 13.0 p-90 -52.9 -25.28 11.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.31 -30.59 69.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.61 -38.01 80.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.023 0.44 . . . . 0.0 110.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.966 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' ILE . . . -68.69 -40.0 80.25 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 122.115 0.959 . . . . 0.0 108.808 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.7 t -59.44 -47.51 90.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.874 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . -66.45 -48.32 70.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.911 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 32' ' ' ALA . 12.0 tt -61.72 -50.06 81.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.047 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.427 ' N ' HG22 ' A' ' 35' ' ' ILE . 89.5 t -58.32 -43.58 86.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.9 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.05 79.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.439 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 87.2 m-70 -59.3 -51.23 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.1 pp -65.42 -36.49 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.441 ' N ' ' CD1' ' A' ' 39' ' ' LEU . . . -57.59 -48.11 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.31 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.587 ' HA ' ' CE2' ' A' ' 44' ' ' TRP . 47.5 t -63.5 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.216 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.3 m-30 -58.15 -30.03 66.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.031 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.7 mm -78.5 -45.15 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.283 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 41' ' ' VAL . 1.4 p90 -90.78 -4.86 56.34 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.089 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -54.74 -50.78 83.89 Favored Pre-proline 0 CA--C 1.53 0.189 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.026 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 94.1 Cg_endo -81.91 -2.2 11.22 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.433 2.088 . . . . 0.0 112.559 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -87.69 -41.03 13.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.216 0.532 . . . . 0.0 110.938 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.9 m-30 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.727 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.775 0.322 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -69.74 125.53 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -105.34 -34.13 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.631 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.456 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 47.8 t 53.26 23.21 3.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.695 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.51 -3.59 50.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.204 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 5.4 mp -71.27 -10.8 60.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.645 0.259 . . . . 0.0 111.031 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.96 -19.37 75.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.621 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -71.12 -38.39 72.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 11' ' ' LEU . 7.8 t -80.41 -44.16 19.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.195 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.02 26.24 0.66 Allowed Glycine 0 CA--C 1.523 0.561 0 C-N-CA 121.163 -0.542 . . . . 0.0 114.044 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' H ' ' C ' ' A' ' 9' ' ' THR . 2.8 pp -90.06 11.17 21.53 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.44 0.62 . . . . 0.0 111.515 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -69.72 -52.02 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.268 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.55 -42.03 86.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.075 0.464 . . . . 0.0 110.165 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.53 -36.99 82.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 109.947 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.32 -48.24 80.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.52 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.19 -54.94 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.203 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.82 -40.26 94.65 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.186 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.84 -47.4 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.362 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.04 -39.65 79.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.29 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 81.4 t60 -62.5 -53.55 53.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 0.0 111.203 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -62.36 -43.62 98.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.599 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' GLY . 27.4 m -69.23 -38.44 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.648 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -59.21 -48.04 83.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.466 ' CE ' ' CE1' ' A' ' 20' ' ' HIS . 63.1 mtt -71.75 -46.8 57.32 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.185 0.517 . . . . 0.0 110.751 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -55.81 -34.32 65.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.62 60.09 0.64 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.917 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.6 tp -51.11 -31.7 20.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -77.07 -4.03 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.363 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.83 -26.23 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.58 -37.65 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -58.06 -40.66 81.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.25 -42.56 79.5 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.135 0.969 . . . . 0.0 108.494 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 t -58.7 -39.48 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.4 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.78 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.3 mt -59.47 -47.79 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.21 -50.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 110.814 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.12 78.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.354 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.56 -51.44 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 94.2 mt -63.02 -39.21 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.204 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.07 80.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.21 -40.78 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.97 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.81 -30.5 65.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 43' ' ' ILE . 76.3 mt -81.29 -25.52 10.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.899 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -79.93 -31.88 40.09 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.616 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.653 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.7 mmt180 -53.37 -50.9 80.22 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 3.3 Cg_exo -76.64 -3.37 13.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.703 2.269 . . . . 0.0 112.554 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.77 -40.97 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.442 0.639 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.2 p90 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.735 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.775 0.321 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -107.48 -38.79 5.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -127.51 164.77 21.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 41.6 m 71.79 -61.07 0.5 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.135 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -80.94 46.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.477 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -73.54 -0.97 16.75 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.616 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -66.4 -15.29 63.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.938 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -69.66 -50.24 45.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.997 0.427 . . . . 0.0 110.562 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -80.33 -23.84 40.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.979 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -10.83 54.99 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.08 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 7' ' ' GLY . 78.3 mt -74.99 -2.26 26.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.746 0.273 . . . . 0.0 111.726 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -68.64 -56.31 8.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.63 -41.52 95.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.135 0.493 . . . . 0.0 110.235 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.0 -36.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.035 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.373 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.7 93.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.758 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -62.92 -44.14 96.9 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.673 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -61.98 -40.53 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.1 -36.91 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -61.63 -53.0 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.717 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -61.52 -43.27 99.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLY . 61.2 t -68.08 -38.45 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.74 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' OH ' ' CG ' ' A' ' 30' ' ' PHE . 5.1 t80 -60.35 -47.71 84.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.27 -47.3 57.81 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.373 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -56.05 -34.39 65.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -127.32 55.65 0.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.451 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.7 pp -46.24 -26.44 0.79 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.407 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.5 p-90 -53.52 -24.83 14.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.341 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' CG ' ' OH ' ' A' ' 23' ' ' TYR . 1.3 t80 -59.87 -37.9 80.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.147 0.499 . . . . 0.0 110.565 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 35' ' ' ILE . . . -68.87 -39.86 79.6 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 122.303 1.049 . . . . 0.0 108.72 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.4 t -59.37 -47.33 90.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.791 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . -66.37 -48.48 70.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.921 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 32' ' ' ALA . 12.2 tt -61.74 -50.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.103 0.478 . . . . 0.0 110.988 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 35' ' ' ILE . 93.8 t -58.13 -43.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.854 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.17 -49.11 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 87.4 m-70 -59.05 -51.22 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.095 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.1 pp -65.35 -36.57 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' N ' ' CD1' ' A' ' 39' ' ' LEU . . . -57.28 -48.06 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.093 0.473 . . . . 0.0 110.229 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.591 ' HA ' ' CE2' ' A' ' 44' ' ' TRP . 47.8 t -63.61 -40.64 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.5 m-30 -57.92 -29.81 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.816 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.4 mm -78.62 -45.12 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.217 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.591 ' CE2' ' HA ' ' A' ' 41' ' ' VAL . 1.4 p90 -90.72 -4.94 56.34 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.072 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.54 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -55.06 -50.68 85.1 Favored Pre-proline 0 C--N 1.332 -0.17 0 C-N-CA 121.346 -0.142 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 95.7 Cg_endo -82.14 -1.04 10.59 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.472 2.115 . . . . 0.0 112.496 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.423 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -89.3 -41.09 12.37 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.279 0.561 . . . . 0.0 110.929 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.8 m-30 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.774 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.769 0.318 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -60.13 101.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? 60.38 98.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.0 p -158.13 -178.07 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 p30 44.16 28.63 0.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.661 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.5 -11.95 61.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.179 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -68.79 -10.51 61.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.934 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -69.62 -43.97 71.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.954 0.407 . . . . 0.0 110.713 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -80.82 -34.7 33.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.45 -7.21 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.993 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 7' ' ' GLY . 74.9 mt -57.4 -33.43 67.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.867 0.333 . . . . 0.0 111.114 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.3 t -70.34 -51.45 29.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.381 0.61 . . . . 0.0 110.884 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.434 ' N ' ' CG2' ' A' ' 12' ' ' THR . 36.8 t70 -64.37 -40.27 95.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.295 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.76 -43.45 79.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.568 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 12' ' ' THR . 19.5 pt20 -65.47 -48.05 73.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 15' ' ' GLN . . . -60.05 -54.41 46.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 111.376 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.62 -44.33 96.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.397 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.56 -51.17 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.54 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' HG21 ' A' ' 22' ' ' VAL . 91.8 mt -69.29 -44.35 71.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -60.48 -52.99 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.949 0.404 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 t -61.87 -43.42 98.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.056 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 19' ' ' LEU . 33.0 m -68.75 -39.0 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 19' ' ' LEU . 14.4 m-30 -61.82 -47.46 84.98 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.804 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.7 ttp -71.49 -47.46 55.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.722 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.9 t -56.46 -34.75 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.358 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.21 55.54 0.74 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.975 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' TYR . 62.5 tp -68.29 -34.12 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.6 p-90 -77.49 -3.89 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.05 -45.88 76.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.92 -37.98 77.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -60.15 -40.82 91.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' HG21 ' A' ' 35' ' ' ILE . . . -68.47 -40.33 81.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 122.041 0.924 . . . . 0.0 109.092 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' VAL . 17.8 t -60.66 -46.43 95.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.977 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.77 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.792 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.433 HG21 ' O ' ' A' ' 32' ' ' ALA . 11.9 tt -65.1 -50.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.796 0.332 . . . . 0.0 111.559 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' N ' HG23 ' A' ' 35' ' ' ILE . 12.5 p -58.03 -47.88 85.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.99 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.624 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -59.35 -45.87 90.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.494 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.4 mt -59.18 -49.09 79.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.416 ' CB ' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.68 -48.31 77.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 110.586 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 45' ' ' ARG . 51.4 t -63.75 -38.49 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.002 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.88 -30.35 67.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.671 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 44.3 mm -77.37 -40.26 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.095 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.416 ' CZ3' ' CB ' ' A' ' 40' ' ' ALA . 5.3 m-90 -89.73 -4.69 57.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.934 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 4.7 tmm_? -66.09 -47.55 61.96 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 55.5 Cg_endo -89.28 -10.75 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.513 2.142 . . . . 0.0 113.319 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 22.2 m95 -94.17 -41.58 9.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.281 0.562 . . . . 0.0 111.04 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.946 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.68 -71.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -98.58 153.87 18.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.5 t -158.09 -77.89 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -80.41 -19.56 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.473 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.91 -7.69 47.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.711 0.291 . . . . 0.0 110.842 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.43 -37.08 62.73 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.596 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.44 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 7.5 m-85 -71.31 -30.68 66.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 111.348 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 t -84.92 -37.06 21.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.465 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.34 -13.54 58.32 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.636 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 1.6 pp -90.93 11.43 22.79 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -69.43 -51.48 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.492 0.187 . . . . 0.0 111.268 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -58.96 -41.97 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.74 -37.88 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.864 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -62.4 -48.24 80.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.63 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.98 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.34 -44.19 97.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.269 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.198 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 96.5 mt -68.53 -42.08 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.127 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -59.02 -52.23 66.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.412 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.435 ' HA ' ' OG ' ' A' ' 25' ' ' SER . 67.1 t -66.86 -39.14 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.282 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.7 m-30 -64.12 -47.38 80.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.377 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.5 tpp -71.12 -48.06 54.41 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 111.104 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.435 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 96.3 p -59.54 -34.57 72.83 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -81.27 -59.05 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.958 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 3.3 pp 45.6 21.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -130.35 22.15 5.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.309 . . . . 0.0 110.777 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.05 -28.47 68.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.789 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -58.73 -37.83 77.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.211 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -59.41 -40.85 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.48 -40.63 80.88 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 122.02 0.914 . . . . 0.0 108.92 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 t -59.28 -45.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.933 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.34 -48.36 70.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.919 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 36' ' ' VAL . 11.6 tt -67.21 -50.54 62.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 111.265 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.41 ' N ' ' CG2' ' A' ' 35' ' ' ILE . 80.2 t -60.64 -52.23 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.33 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -58.62 -50.42 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.06 -46.37 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.977 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -57.6 -48.13 80.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.9 t -66.58 -42.37 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.027 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.59 -30.83 67.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 40' ' ' ALA . 39.8 pt -86.91 -27.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.694 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -88.4 -27.13 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.431 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.513 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 59.2 ttp85 -59.37 -50.37 87.72 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 87.5 Cg_endo -79.72 -8.28 14.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.366 2.044 . . . . 0.0 112.817 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -93.96 -41.51 9.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.273 0.559 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.644 -179.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.817 0.341 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -110.3 -25.23 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -91.98 54.26 2.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.074 0.464 . . . . 0.0 110.117 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t -83.2 -175.51 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 1.5 m-20 51.63 32.89 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -70.89 -4.94 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.609 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.66 -1.85 32.86 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.385 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 5' ' ' ASP . 8.8 m-30 -67.59 -33.85 75.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.087 0.443 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -80.63 -27.98 37.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.96 -8.47 49.17 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.2 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.15 -15.37 45.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.861 0.331 . . . . 0.0 111.501 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.6 p -68.5 -56.75 7.32 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.733 0.302 . . . . 0.0 111.053 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.12 -41.57 92.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 0.0 110.425 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.85 -36.96 85.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -61.29 -48.06 83.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.568 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.93 92.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.82 -44.64 95.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.469 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -51.09 64.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.677 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 86.2 mt -67.95 -45.04 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.9 -48.64 80.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -61.67 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.72 -38.89 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.011 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 10.9 m-30 -60.91 -47.57 85.78 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.743 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.31 -47.38 57.05 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.05 0.452 . . . . 0.0 110.697 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -56.4 -34.74 67.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.238 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.39 58.06 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.88 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 2.5 pp -52.36 -25.81 10.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 111.332 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.4 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 30.1 t90 -70.63 -16.06 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.762 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.3 -25.65 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.49 -37.79 76.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -61.18 -41.49 96.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.74 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' O ' HG21 ' A' ' 35' ' ' ILE . . . -68.38 -40.86 81.24 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 122.103 0.954 . . . . 0.0 108.665 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.79 -42.95 90.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 113.824 -1.535 . . . . 0.0 110.745 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -48.35 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.587 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 36' ' ' VAL . 8.8 tp -67.21 -50.23 65.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.975 0.416 . . . . 0.0 110.969 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' N ' HG23 ' A' ' 35' ' ' ILE . 67.3 t -59.07 -48.79 85.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.653 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.75 90.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -59.32 -43.92 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.578 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.76 -45.46 78.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.16 78.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 42' ' ' TYR . 8.6 p -63.39 -38.42 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.215 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.416 ' N ' HG12 ' A' ' 41' ' ' VAL . 1.3 t80 -59.93 -30.85 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 HD13 HG21 ' A' ' 43' ' ' ILE . 75.5 mt -81.48 -24.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.954 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -68.75 -32.91 73.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.775 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.744 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 78.7 ttt180 -65.04 -54.95 30.22 Favored Pre-proline 0 CA--C 1.531 0.225 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 6.4 Cg_exo -74.15 -6.27 18.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.445 2.096 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 3.3 t-105 -90.42 -41.34 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.138 0.494 . . . . 0.0 110.781 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 47' ' ' TRP . 16.9 p90 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.78 0.324 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -76.91 78.01 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' HB3' ' HE2' ' A' ' 3' ' ' LYS . 5.3 ptpt -55.96 -53.11 60.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.317 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.0 t 57.65 21.04 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.359 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.68 -2.32 46.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.289 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 5.5 mp -71.33 -10.01 59.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.626 0.25 . . . . 0.0 111.25 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.03 -19.26 73.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.673 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -71.27 -39.43 71.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 111.033 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.415 ' C ' ' H ' ' A' ' 11' ' ' LEU . 8.4 t -80.31 -43.68 20.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.86 26.1 0.64 Allowed Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.185 -0.531 . . . . 0.0 113.979 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' 9' ' ' THR . 2.8 pp -90.12 11.47 20.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.496 0.648 . . . . 0.0 111.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -69.84 -51.96 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.28 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -58.77 -41.99 87.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.108 0.48 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -67.6 -37.62 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.808 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -61.77 -48.23 81.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.614 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.06 -54.99 37.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.162 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.16 -39.3 92.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.184 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.99 -47.81 81.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.291 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.14 -39.9 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.246 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.477 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 81.1 t60 -62.3 -53.66 51.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 111.188 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -62.05 -43.76 98.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.653 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' GLY . 27.2 m -69.11 -38.48 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.76 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -58.78 -47.84 83.31 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.759 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.477 ' CE ' ' CE1' ' A' ' 20' ' ' HIS . 63.3 mtt -71.5 -47.03 58.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.73 178.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -56.2 -34.56 66.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.154 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.86 59.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.982 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.1 tp -51.09 -31.9 20.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -75.25 -6.21 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.287 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.09 -26.14 64.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.705 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.62 -37.63 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.419 . . . . 0.0 110.647 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 t -57.98 -40.64 81.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.19 -42.57 79.73 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.993 0.901 . . . . 0.0 108.582 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.89 -39.41 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.482 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.97 76.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.662 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.427 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -59.34 -47.71 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.4 -50.74 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.754 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.08 -49.08 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.319 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.83 -51.24 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -62.58 -39.48 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.56 81.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.418 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.23 -41.36 92.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.016 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.99 -30.72 66.27 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.426 HG21 HD12 ' A' ' 43' ' ' ILE . 76.1 mt -81.04 -24.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.844 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 44' ' ' TRP . 3.7 t-105 -80.41 -31.49 37.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.675 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.649 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.6 mmt180 -53.5 -50.67 81.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.649 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 2.7 Cg_exo -76.33 -4.27 14.85 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.445 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.46 -40.92 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.237 0.541 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.3 p90 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.773 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.855 0.36 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -79.72 149.18 31.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -151.89 151.31 31.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.464 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.1 m -158.17 -67.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -160.54 37.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 2.7 mm? -75.53 7.57 3.56 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.997 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.26 -37.17 90.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.904 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 47.0 m-85 -70.09 -38.01 75.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 111.003 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -84.96 -28.71 25.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.283 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.01 -15.24 60.18 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.803 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 1.1 pp -90.89 22.86 3.4 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.7 t -69.06 -53.1 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.45 0.643 . . . . 0.0 110.72 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' N ' ' CG2' ' A' ' 12' ' ' THR . 12.2 p-10 -64.76 -38.66 91.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.237 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.5 -42.87 86.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.265 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 12' ' ' THR . 17.7 pt20 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.07 38.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.251 0.548 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.57 -38.3 89.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.41 -49.93 73.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 91.3 mt -68.55 -41.07 80.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -59.31 -48.89 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.464 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.82 -43.18 99.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.8 -38.83 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.1 m-30 -65.09 -47.25 77.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.413 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.85 -48.16 55.44 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.019 0.438 . . . . 0.0 111.024 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.3 p -59.83 -34.63 73.34 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -85.75 -15.97 64.57 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.738 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 3.6 pp 43.38 22.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.426 ' CE3' ' HA3' ' A' ' 26' ' ' GLY . 5.3 m-90 -95.93 44.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.93 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.8 p90 -63.0 -37.59 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -57.4 -40.3 77.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.739 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 35' ' ' ILE . . . -68.36 -37.67 80.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.872 0.844 . . . . 0.0 109.122 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.1 t -63.04 -45.98 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.146 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.28 79.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.677 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -66.91 -50.29 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.522 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' N ' HG22 ' A' ' 35' ' ' ILE . 13.1 p -58.35 -47.16 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -58.92 -42.87 90.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.9 mt -68.01 -45.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.019 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.58 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.82 -39.54 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.957 0.408 . . . . 0.0 110.406 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.97 -30.44 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.641 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.5 mm -81.65 -29.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.193 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -83.24 -37.64 23.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.806 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.537 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 79.2 ttt180 -50.29 -47.52 82.54 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 5.3 Cg_exo -78.17 -5.37 15.05 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.795 2.33 . . . . 0.0 112.574 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -89.79 -41.36 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.311 0.577 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.929 179.751 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.772 0.32 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.92 76.07 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 3' ' ' LYS . 63.1 mmtt 60.49 80.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.394 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.9 m -159.4 133.53 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 66.47 11.7 8.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.626 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.46 10.58 2.0 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.529 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -66.34 -24.12 72.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.648 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 5.6 t80 -70.86 -29.55 65.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.795 0.331 . . . . 0.0 110.453 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -80.39 -25.04 39.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.601 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.76 -13.23 65.8 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.014 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 7' ' ' GLY . 2.3 mm? -90.59 62.17 5.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.172 0.51 . . . . 0.0 110.896 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.5 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 37.8 p -66.06 -40.54 91.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.288 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -63.81 -41.17 97.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 62.9 mm-40 -64.02 -45.8 87.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.54 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.5 ' HG2' ' HA ' ' A' ' 12' ' ' THR . 16.4 pt20 -65.01 -36.35 84.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.81 91.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.411 0.624 . . . . 0.0 110.227 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.69 -38.58 90.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.188 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.2 -38.73 87.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HA ' HG12 ' A' ' 22' ' ' VAL . 90.2 mt -68.25 -41.45 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.102 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -62.22 -45.4 93.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.542 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.9 p -61.78 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 19' ' ' LEU . 8.5 p -69.21 -38.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.667 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.46 -46.92 85.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -70.63 -47.26 60.95 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.13 33.34 6.33 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.112 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.64 -24.62 14.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.544 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -87.73 32.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.518 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.8 tp -67.08 -38.89 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.762 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 71.1 t80 -61.8 -37.32 83.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.7 m -57.42 -40.37 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.03 81.24 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.92 0.867 . . . . 0.0 108.818 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.7 t -62.73 -42.94 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.917 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.427 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 36' ' ' VAL . 24.2 pt -62.7 -46.18 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.189 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.447 ' N ' HG13 ' A' ' 35' ' ' ILE . 67.7 t -59.28 -48.33 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.769 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.23 93.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -58.96 -52.36 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.181 0.515 . . . . 0.0 110.627 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.9 mt -59.18 -45.06 92.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.689 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.84 79.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.2 t -63.32 -44.82 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.73 -30.42 65.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.426 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 74.0 mt -79.8 -25.39 12.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.907 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.425 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 31.9 t90 -87.77 -5.05 58.83 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.651 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.555 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 47.2 mmm-85 -60.01 -47.31 97.34 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 13.8 Cg_exo -69.35 -10.54 29.15 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.52 2.146 . . . . 0.0 112.437 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.425 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 18.9 m95 -91.21 -41.33 11.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.291 0.567 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.89 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.875 0.369 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -139.81 -175.53 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -128.15 152.28 48.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.5 p -158.5 54.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 p30 44.64 50.6 8.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.357 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.79 41.34 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.835 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.81 -115.6 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.613 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.526 ' O ' ' OG1' ' A' ' 9' ' ' THR . 48.5 t80 -71.16 -13.87 62.08 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.633 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' A' ' 8' ' ' TYR . 19.6 p 71.27 -14.51 0.46 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.516 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . -69.74 -18.35 73.99 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.844 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 2.7 pp -61.44 -19.03 61.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.285 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 40.3 p -70.13 -43.08 71.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.975 0.417 . . . . 0.0 111.702 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.02 -41.67 90.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.98 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HG2' ' HA ' ' A' ' 11' ' ' LEU . 24.7 pt-20 -67.17 -42.29 84.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.156 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 12' ' ' THR . 18.0 pt20 -64.14 -43.92 93.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.722 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -61.87 -36.12 80.33 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.79 -49.9 74.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.32 -44.61 78.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.378 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -59.81 -42.03 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.9 m -61.75 -43.14 99.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.678 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.0 t -66.33 -38.91 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -61.18 -47.33 86.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.8 ttt -70.98 -47.42 59.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m -56.63 -34.92 67.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.168 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.24 41.67 2.07 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.579 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -58.34 -23.67 57.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.692 0.282 . . . . 0.0 111.197 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.406 ' O ' ' CG ' ' A' ' 28' ' ' TRP . 27.3 t90 -96.58 14.66 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.167 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.25 -32.52 73.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -58.88 -37.88 77.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' ' NE1' ' A' ' 28' ' ' TRP . 55.7 m -61.75 -40.7 96.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' HG21 ' A' ' 35' ' ' ILE . . . -68.37 -40.32 81.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 122.031 0.92 . . . . 0.0 108.754 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.47 -42.44 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.47 -48.25 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.746 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 32' ' ' ALA . 12.2 tt -65.74 -50.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.981 0.42 . . . . 0.0 111.347 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.427 ' N ' HG23 ' A' ' 35' ' ' ILE . 32.6 m -58.89 -46.49 91.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -58.63 -44.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 43' ' ' ILE . 87.5 mt -66.59 -45.47 79.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' CB ' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.58 -48.32 77.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.72 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.444 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.46 -30.62 68.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.3 mm -77.56 -39.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.018 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.438 ' CZ3' ' CB ' ' A' ' 40' ' ' ALA . 6.2 m-90 -83.25 -14.96 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.592 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 3.0 tpm_? -57.09 -53.15 68.33 Favored Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 121.267 -0.173 . . . . 0.0 110.798 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 89.3 Cg_endo -78.68 -4.22 13.9 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.342 2.028 . . . . 0.0 112.491 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -93.85 -41.38 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.269 0.557 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.884 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.77 0.319 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -107.83 -37.87 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -128.32 164.89 21.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 43.8 m 71.64 -60.79 0.51 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.156 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -81.12 47.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.716 0.293 . . . . 0.0 111.467 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -73.52 -1.33 18.15 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.588 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -66.17 -15.78 63.6 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.914 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -69.46 -50.15 48.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 0.0 110.525 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.7 t -80.22 -24.14 40.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.906 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.33 -10.83 54.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.046 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 7' ' ' GLY . 77.2 mt -73.86 -3.6 29.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.829 0.314 . . . . 0.0 111.73 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.9 p -68.56 -56.57 7.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.4 -41.47 93.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.452 . . . . 0.0 110.238 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.08 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.971 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.16 -48.17 82.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.331 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.02 94.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.724 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.59 -44.1 97.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.623 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -62.05 -40.82 97.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.719 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.95 -36.84 78.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -61.54 -53.11 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.55 -43.19 99.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' GLY . 60.9 t -67.98 -38.47 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.94 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -70.92 -47.44 59.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.157 0.503 . . . . 0.0 110.416 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 t -56.32 -34.84 66.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -126.08 54.3 0.76 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 114.9 -1.046 . . . . 0.0 112.494 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 28' ' ' TRP . 2.6 pp -46.28 -26.43 0.8 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.408 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 13.0 p-90 -52.9 -25.28 11.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.31 -30.59 69.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.61 -38.01 80.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.023 0.44 . . . . 0.0 110.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.966 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' ILE . . . -68.69 -40.0 80.25 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 122.115 0.959 . . . . 0.0 108.808 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.7 t -59.44 -47.51 90.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.874 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . -66.45 -48.32 70.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.911 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 32' ' ' ALA . 12.0 tt -61.72 -50.06 81.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.047 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.427 ' N ' HG22 ' A' ' 35' ' ' ILE . 89.5 t -58.32 -43.58 86.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.9 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.05 79.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.439 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 87.2 m-70 -59.3 -51.23 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 43' ' ' ILE . 4.1 pp -65.42 -36.49 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.441 ' N ' ' CD1' ' A' ' 39' ' ' LEU . . . -57.59 -48.11 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.31 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.587 ' HA ' ' CE2' ' A' ' 44' ' ' TRP . 47.5 t -63.5 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.216 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.3 m-30 -58.15 -30.03 66.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.031 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.7 mm -78.5 -45.15 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.283 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 41' ' ' VAL . 1.4 p90 -90.78 -4.86 56.34 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.089 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -54.74 -50.78 83.89 Favored Pre-proline 0 CA--C 1.53 0.189 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.026 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 94.1 Cg_endo -81.91 -2.2 11.22 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.433 2.088 . . . . 0.0 112.559 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -87.69 -41.03 13.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.216 0.532 . . . . 0.0 110.938 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.9 m-30 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.727 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 114.044 0.378 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.8 pp -90.06 11.17 21.53 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.44 0.62 . . . . 0.0 111.515 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -69.72 -52.02 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.268 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.55 -42.03 86.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.075 0.464 . . . . 0.0 110.165 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.53 -36.99 82.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 109.947 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.32 -48.24 80.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.52 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.19 -54.94 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.203 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.82 -40.26 94.65 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.186 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.618 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -62.84 -47.4 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.362 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HA ' HG22 ' A' ' 22' ' ' VAL . 89.7 mt -69.04 -39.65 79.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.29 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.5 -53.55 53.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 0.0 111.203 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -62.36 -43.62 98.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.599 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 18' ' ' GLU . 27.4 m -69.23 -38.44 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.648 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -59.21 -48.04 83.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.1 mtt -71.75 -46.8 57.32 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.185 0.517 . . . . 0.0 110.751 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -55.81 -34.32 65.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.62 60.09 0.64 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.917 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.6 tp -51.11 -31.7 20.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -77.07 -4.03 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.363 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.887 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.4 tt -60.83 -26.23 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.688 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.58 -37.65 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -58.06 -40.66 81.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.25 -42.56 79.5 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.135 0.969 . . . . 0.0 108.494 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.601 HG23 HD23 ' A' ' 29' ' ' LEU . 6.4 t -58.7 -39.48 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.4 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.78 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.3 mt -59.47 -47.79 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 32' ' ' ALA . 53.1 t -57.21 -50.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 110.814 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.09 -49.12 78.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.354 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.56 -51.44 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 94.2 mt -63.02 -39.21 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.204 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.07 80.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 37' ' ' ALA . 54.1 t -63.21 -40.78 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.97 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.81 -30.5 65.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.434 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 76.3 mt -81.29 -25.52 10.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.899 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -79.93 -31.88 40.09 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.616 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.664 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.7 mmt180 -53.37 -50.9 80.22 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 3.3 Cg_exo -76.64 -3.37 13.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.703 2.269 . . . . 0.0 112.554 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.77 -40.97 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.442 0.639 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.2 p90 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.735 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 120.393 -0.115 . . . . 0.0 113.08 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -74.99 -2.26 26.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.746 0.273 . . . . 0.0 111.726 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -68.64 -56.31 8.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.63 -41.52 95.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.135 0.493 . . . . 0.0 110.235 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.0 -36.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.035 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.373 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.7 93.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.758 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -62.92 -44.14 96.9 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.673 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.79 ' O ' HG23 ' A' ' 22' ' ' VAL . 89.3 tt0 -61.98 -40.53 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.1 -36.91 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -53.0 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.717 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -61.52 -43.27 99.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 18' ' ' GLU . 61.2 t -68.08 -38.45 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.74 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -60.35 -47.71 84.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.27 -47.3 57.81 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.373 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -56.05 -34.39 65.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -127.32 55.65 0.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.451 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.7 pp -46.24 -26.44 0.79 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.896 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.5 p-90 -53.52 -24.83 14.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.341 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 33' ' ' VAL . 93.5 mt -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.87 -37.9 80.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.147 0.499 . . . . 0.0 110.565 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.87 -39.86 79.6 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 122.303 1.049 . . . . 0.0 108.72 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 29' ' ' LEU . 8.4 t -59.37 -47.33 90.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.791 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.37 -48.48 70.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.921 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.2 tt -61.74 -50.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.103 0.478 . . . . 0.0 110.988 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 32' ' ' ALA . 93.8 t -58.13 -43.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.854 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.17 -49.11 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.405 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 38.3 m80 -59.05 -51.22 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.095 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.89 HD12 ' N ' ' A' ' 40' ' ' ALA . 4.1 pp -65.35 -36.57 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.89 ' N ' HD12 ' A' ' 39' ' ' LEU . . . -57.28 -48.06 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.093 0.473 . . . . 0.0 110.229 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.647 HG22 ' CZ2' ' A' ' 44' ' ' TRP . 47.8 t -63.61 -40.64 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.5 m-30 -57.92 -29.81 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.816 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.4 mm -78.62 -45.12 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.217 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.647 ' CZ2' HG22 ' A' ' 41' ' ' VAL . 1.4 p90 -90.72 -4.94 56.34 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.072 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.565 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -55.06 -50.68 85.1 Favored Pre-proline 0 C--N 1.332 -0.17 0 C-N-CA 121.346 -0.142 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 95.7 Cg_endo -82.14 -1.04 10.59 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.472 2.115 . . . . 0.0 112.496 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -89.3 -41.09 12.37 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.279 0.561 . . . . 0.0 110.929 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.8 m-30 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.774 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 120.391 -0.116 . . . . 0.0 112.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.4 -33.43 67.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.867 0.333 . . . . 0.0 111.114 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.3 t -70.34 -51.45 29.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.381 0.61 . . . . 0.0 110.884 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 12' ' ' THR . 36.8 t70 -64.37 -40.27 95.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.295 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.76 -43.45 79.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.568 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 12' ' ' THR . 19.5 pt20 -65.47 -48.05 73.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 15' ' ' GLN . . . -60.05 -54.41 46.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 111.376 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -62.62 -44.33 96.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.397 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -64.56 -51.17 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.54 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 91.8 mt -69.29 -44.35 71.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -60.48 -52.99 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.949 0.404 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 t -61.87 -43.42 98.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.056 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 18' ' ' GLU . 33.0 m -68.75 -39.0 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 19' ' ' LEU . 14.4 m-30 -61.82 -47.46 84.98 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.804 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.7 ttp -71.49 -47.46 55.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.722 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.9 t -56.46 -34.75 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.358 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 29' ' ' LEU . . . -134.21 55.54 0.74 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.975 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' TYR . 62.5 tp -68.29 -34.12 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.6 p-90 -77.49 -3.89 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD1' ' HA3' ' A' ' 26' ' ' GLY . 83.2 mt -67.05 -45.88 76.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.92 -37.98 77.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -60.15 -40.82 91.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.668 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -68.47 -40.33 81.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 122.041 0.924 . . . . 0.0 109.092 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.8 t -60.66 -46.43 95.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.977 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.77 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.792 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 36' ' ' VAL . 11.9 tt -65.1 -50.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.796 0.332 . . . . 0.0 111.559 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 32' ' ' ALA . 12.5 p -58.03 -47.88 85.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.27 -41.99 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.624 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -45.87 90.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.494 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.4 mt -59.18 -49.09 79.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.887 ' HB1' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.68 -48.31 77.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 110.586 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 37' ' ' ALA . 51.4 t -63.75 -38.49 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.002 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.88 -30.35 67.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.671 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 44.3 mm -77.37 -40.26 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.095 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.887 ' CZ3' ' HB1' ' A' ' 40' ' ' ALA . 5.3 m-90 -89.73 -4.69 57.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.934 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.552 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 4.7 tmm_? -66.09 -47.55 61.96 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 55.5 Cg_endo -89.28 -10.75 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.513 2.142 . . . . 0.0 113.319 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 22.2 m95 -94.17 -41.58 9.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.281 0.562 . . . . 0.0 111.04 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.946 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.636 -0.185 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.6 pp -90.93 11.43 22.79 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -69.43 -51.48 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.492 0.187 . . . . 0.0 111.268 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -58.96 -41.97 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.74 -37.88 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.864 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -62.4 -48.24 80.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.63 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.98 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.34 -44.19 97.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.269 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 tm-20 -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.198 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.466 HD23 ' OE1' ' A' ' 18' ' ' GLU . 96.5 mt -68.53 -42.08 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.127 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -52.23 66.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.412 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 18' ' ' GLU . 67.1 t -66.86 -39.14 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.282 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.7 m-30 -64.12 -47.38 80.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.377 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.5 tpp -71.12 -48.06 54.41 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 111.104 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 96.3 p -59.54 -34.57 72.83 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -81.27 -59.05 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.958 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 27' ' ' LEU . 3.3 pp 45.6 21.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -130.35 22.15 5.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.309 . . . . 0.0 110.777 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.886 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.9 tm? -67.05 -28.47 68.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.789 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -58.73 -37.83 77.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.211 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -59.41 -40.85 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.48 -40.63 80.88 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 122.02 0.914 . . . . 0.0 108.92 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.674 HG23 HD13 ' A' ' 29' ' ' LEU . 10.0 t -59.28 -45.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.933 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.34 -48.36 70.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.919 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 36' ' ' VAL . 11.6 tt -67.21 -50.54 62.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 111.265 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 32' ' ' ALA . 80.2 t -60.64 -52.23 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.03 -40.33 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -58.62 -50.42 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.06 -46.37 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.977 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -57.6 -48.13 80.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 37' ' ' ALA . 47.9 t -66.58 -42.37 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.027 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.59 -30.83 67.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 40' ' ' ALA . 39.8 pt -86.91 -27.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.694 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -88.4 -27.13 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.431 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.532 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 59.2 ttp85 -59.37 -50.37 87.72 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 87.5 Cg_endo -79.72 -8.28 14.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.366 2.044 . . . . 0.0 112.817 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -93.96 -41.51 9.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.273 0.559 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.644 -179.859 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.318 0 CA-C-O 120.407 -0.107 . . . . 0.0 113.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 11' ' ' LEU . 3.5 pp -62.15 -15.37 45.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.861 0.331 . . . . 0.0 111.501 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.614 ' N ' HD12 ' A' ' 11' ' ' LEU . 82.6 p -68.5 -56.75 7.32 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.733 0.302 . . . . 0.0 111.053 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.12 -41.57 92.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 0.0 110.425 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.85 -36.96 85.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -61.29 -48.06 83.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.568 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.93 92.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.82 -44.64 95.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.469 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.72 -51.09 64.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.677 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 86.2 mt -67.95 -45.04 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.9 -48.64 80.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -61.67 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 18' ' ' GLU . 58.9 t -67.72 -38.89 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.011 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 10.9 m-30 -60.91 -47.57 85.78 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.743 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.31 -47.38 57.05 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.05 0.452 . . . . 0.0 110.697 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -56.4 -34.74 67.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.238 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.39 58.06 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.88 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.5 pp -52.36 -25.81 10.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 111.332 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.901 ' N ' HD12 ' A' ' 27' ' ' LEU . 30.1 t90 -70.63 -16.06 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.762 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.3 -25.65 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.49 -37.79 76.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -61.18 -41.49 96.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.74 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.709 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.38 -40.86 81.24 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 122.103 0.954 . . . . 0.0 108.665 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.79 -42.95 90.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 113.824 -1.535 . . . . 0.0 110.745 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -48.35 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.587 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 36' ' ' VAL . 8.8 tp -67.21 -50.23 65.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.975 0.416 . . . . 0.0 110.969 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 32' ' ' ALA . 67.3 t -59.07 -48.79 85.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.653 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.75 90.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -59.32 -43.92 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.578 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.76 -45.46 78.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.16 78.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 38' ' ' HIS . 8.6 p -63.39 -38.42 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.215 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.93 -30.85 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.5 mt -81.48 -24.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.954 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -68.75 -32.91 73.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.775 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.754 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 78.7 ttt180 -65.04 -54.95 30.22 Favored Pre-proline 0 CA--C 1.531 0.225 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 6.4 Cg_exo -74.15 -6.27 18.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.445 2.096 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 3.3 t-105 -90.42 -41.34 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.138 0.494 . . . . 0.0 110.781 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 47' ' ' TRP . 16.9 p90 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 113.979 0.351 . . . . 0.0 113.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.8 pp -90.12 11.47 20.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.496 0.648 . . . . 0.0 111.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -69.84 -51.96 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.28 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -58.77 -41.99 87.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.108 0.48 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -67.6 -37.62 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.808 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -61.77 -48.23 81.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.614 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.06 -54.99 37.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.162 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.16 -39.3 92.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.184 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.627 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -62.99 -47.81 81.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.291 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 22' ' ' VAL . 90.6 mt -69.14 -39.9 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.246 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -62.3 -53.66 51.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 111.188 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -62.05 -43.76 98.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.653 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 18' ' ' GLU . 27.2 m -69.11 -38.48 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.76 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -58.78 -47.84 83.31 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.759 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt -71.5 -47.03 58.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.73 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -56.2 -34.56 66.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.154 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.86 59.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.982 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.1 tp -51.09 -31.9 20.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -75.25 -6.21 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.287 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.893 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.4 tt -59.09 -26.14 64.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.705 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.62 -37.63 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.419 . . . . 0.0 110.647 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 t -57.98 -40.64 81.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.19 -42.57 79.73 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.993 0.901 . . . . 0.0 108.582 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.643 HG23 HD23 ' A' ' 29' ' ' LEU . 15.9 t -58.89 -39.41 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.482 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.97 76.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.662 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.44 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -59.34 -47.71 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 32' ' ' ALA . 54.4 t -57.4 -50.74 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.754 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.08 -49.08 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.319 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.83 -51.24 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -62.58 -39.48 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.56 81.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.418 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' ALA . 54.8 t -63.23 -41.36 92.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.016 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.99 -30.72 66.27 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 76.1 mt -81.04 -24.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.844 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -80.41 -31.49 37.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.675 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.656 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.6 mmt180 -53.5 -50.67 81.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 2.7 Cg_exo -76.33 -4.27 14.85 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.445 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.46 -40.92 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.237 0.541 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.3 p90 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.773 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.51 0 N-CA-C 112.803 -0.119 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.505 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.1 pp -90.89 22.86 3.4 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.7 t -69.06 -53.1 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.45 0.643 . . . . 0.0 110.72 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' HG23 ' A' ' 12' ' ' THR . 12.2 p-10 -64.76 -38.66 91.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.237 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.5 -42.87 86.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.265 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' THR . 17.7 pt20 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.07 38.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.251 0.548 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.57 -38.3 89.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.839 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.5 tp10 -62.41 -49.93 73.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 91.3 mt -68.55 -41.07 80.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -59.31 -48.89 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.464 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.82 -43.18 99.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 18' ' ' GLU . 60.6 t -65.8 -38.83 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.1 m-30 -65.09 -47.25 77.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.413 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.85 -48.16 55.44 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.019 0.438 . . . . 0.0 111.024 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 89.3 p -59.83 -34.63 73.34 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -85.75 -15.97 64.57 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.738 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 27' ' ' LEU . 3.6 pp 43.38 22.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CE3' ' HA3' ' A' ' 26' ' ' GLY . 5.3 m-90 -95.93 44.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.93 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.0 mm? -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.8 p90 -63.0 -37.59 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -57.4 -40.3 77.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.739 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -68.36 -37.67 80.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.872 0.844 . . . . 0.0 109.122 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.1 t -63.04 -45.98 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.146 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.28 79.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.677 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.559 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -66.91 -50.29 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.522 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 32' ' ' ALA . 13.1 p -58.35 -47.16 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 36' ' ' VAL . . . -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -58.92 -42.87 90.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.427 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.9 mt -68.01 -45.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.019 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.58 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.82 -39.54 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.957 0.408 . . . . 0.0 110.406 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.97 -30.44 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.641 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.5 mm -81.65 -29.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.193 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -83.24 -37.64 23.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.806 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 79.2 ttt180 -50.29 -47.52 82.54 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 5.3 Cg_exo -78.17 -5.37 15.05 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.795 2.33 . . . . 0.0 112.574 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -89.79 -41.36 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.311 0.577 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.929 179.751 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.186 0 N-CA-C 112.014 -0.435 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD12 ' HG3' ' A' ' 14' ' ' GLU . 2.3 mm? -90.59 62.17 5.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.172 0.51 . . . . 0.0 110.896 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.537 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 37.8 p -66.06 -40.54 91.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.288 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -63.81 -41.17 97.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.733 ' HG3' HD12 ' A' ' 11' ' ' LEU . 62.9 mm-40 -64.02 -45.8 87.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.54 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 12' ' ' THR . 11.7 pt20 -65.01 -36.35 84.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.81 91.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.411 0.624 . . . . 0.0 110.227 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.69 -38.58 90.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.188 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.2 -38.73 87.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' O ' HG12 ' A' ' 22' ' ' VAL . 90.2 mt -68.25 -41.45 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.102 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -62.22 -45.4 93.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.542 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.9 p -61.78 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 19' ' ' LEU . 8.5 p -69.21 -38.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.667 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.46 -46.92 85.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -70.63 -47.26 60.95 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.13 33.34 6.33 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.112 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.64 -24.62 14.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.544 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -87.73 32.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.518 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.8 tp -67.08 -38.89 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.762 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 71.1 t80 -61.8 -37.32 83.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.7 m -57.42 -40.37 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.29 -38.03 81.24 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.92 0.867 . . . . 0.0 108.818 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.7 t -62.73 -42.94 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.917 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.427 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 36' ' ' VAL . 24.2 pt -62.7 -46.18 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.189 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 32' ' ' ALA . 67.7 t -59.28 -48.33 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.769 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -59.9 -42.23 93.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -58.96 -52.36 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.181 0.515 . . . . 0.0 110.627 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.9 mt -59.18 -45.06 92.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.689 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.84 79.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 37' ' ' ALA . 51.2 t -63.32 -44.82 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.73 -30.42 65.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.448 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 74.0 mt -79.8 -25.39 12.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.907 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 31.9 t90 -87.77 -5.05 58.83 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.651 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 47.2 mmm-85 -60.01 -47.31 97.34 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 13.8 Cg_exo -69.35 -10.54 29.15 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.52 2.146 . . . . 0.0 112.437 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 18.9 m95 -91.21 -41.33 11.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.291 0.567 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.89 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.781 HD12 ' N ' ' A' ' 12' ' ' THR . 2.7 pp -61.44 -19.03 61.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.285 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.781 ' N ' HD12 ' A' ' 11' ' ' LEU . 40.3 p -70.13 -43.08 71.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.975 0.417 . . . . 0.0 111.702 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.02 -41.67 90.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.98 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' HA ' ' A' ' 11' ' ' LEU . 24.7 pt-20 -67.17 -42.29 84.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.156 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 12' ' ' THR . 18.0 pt20 -64.14 -43.92 93.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.722 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -61.87 -36.12 80.33 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.8 tm-20 -61.79 -49.9 74.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.32 -44.61 78.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.378 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -59.81 -42.03 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.9 m -61.75 -43.14 99.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.678 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 18' ' ' GLU . 50.0 t -66.33 -38.91 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -61.18 -47.33 86.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.8 ttt -70.98 -47.42 59.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m -56.63 -34.92 67.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.168 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.24 41.67 2.07 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.579 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 27' ' ' LEU . 2.1 pt? -58.34 -23.67 57.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.692 0.282 . . . . 0.0 111.197 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.406 ' O ' ' CG ' ' A' ' 28' ' ' TRP . 27.3 t90 -96.58 14.66 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.167 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.25 -32.52 73.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -58.88 -37.88 77.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' ' NE1' ' A' ' 28' ' ' TRP . 55.7 m -61.75 -40.7 96.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.66 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -68.37 -40.32 81.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 122.031 0.92 . . . . 0.0 108.754 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.47 -42.44 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.47 -48.25 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.746 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.2 tt -65.74 -50.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.981 0.42 . . . . 0.0 111.347 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 32' ' ' ALA . 32.6 m -58.89 -46.49 91.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' N ' HG23 ' A' ' 36' ' ' VAL . . . -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -58.63 -44.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' HG12 ' A' ' 43' ' ' ILE . 87.5 mt -66.59 -45.47 79.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.827 ' HB1' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.58 -48.32 77.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.1 p -63.72 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.444 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.46 -30.62 68.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.3 mm -77.56 -39.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.018 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.827 ' CZ3' ' HB1' ' A' ' 40' ' ' ALA . 6.2 m-90 -83.25 -14.96 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.623 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 3.0 tpm_? -57.09 -53.15 68.33 Favored Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 121.267 -0.173 . . . . 0.0 110.798 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 89.3 Cg_endo -78.68 -4.22 13.9 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.342 2.028 . . . . 0.0 112.491 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -93.85 -41.38 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.269 0.557 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.884 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 120.474 -0.07 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.86 -3.6 29.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.829 0.314 . . . . 0.0 111.73 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.9 p -68.56 -56.57 7.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.4 -41.47 93.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.452 . . . . 0.0 110.238 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.08 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.971 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.16 -48.17 82.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.331 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.02 94.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.724 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.59 -44.1 97.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.623 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.787 ' O ' HG23 ' A' ' 22' ' ' VAL . 89.3 tt0 -62.05 -40.82 97.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.719 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.95 -36.84 78.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -53.11 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.55 -43.19 99.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 18' ' ' GLU . 60.9 t -67.98 -38.47 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.94 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -70.92 -47.44 59.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.157 0.503 . . . . 0.0 110.416 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 t -56.32 -34.84 66.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -126.08 54.3 0.76 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 114.9 -1.046 . . . . 0.0 112.494 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.6 pp -46.28 -26.43 0.8 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.896 ' N ' HD12 ' A' ' 27' ' ' LEU . 13.0 p-90 -52.9 -25.28 11.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 33' ' ' VAL . 93.9 mt -60.31 -30.59 69.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.61 -38.01 80.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.023 0.44 . . . . 0.0 110.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.966 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.69 -40.0 80.25 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 122.115 0.959 . . . . 0.0 108.808 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.7 t -59.44 -47.51 90.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.874 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.32 70.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.911 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -61.72 -50.06 81.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.047 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 32' ' ' ALA . 89.5 t -58.32 -43.58 86.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.9 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.05 -49.05 79.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.439 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.402 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 38.3 m80 -59.3 -51.23 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.891 HD12 ' N ' ' A' ' 40' ' ' ALA . 4.1 pp -65.42 -36.49 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.891 ' N ' HD12 ' A' ' 39' ' ' LEU . . . -57.59 -48.11 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.31 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.612 ' HA ' ' CE2' ' A' ' 44' ' ' TRP . 47.5 t -63.5 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.216 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.3 m-30 -58.15 -30.03 66.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.031 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.7 mm -78.5 -45.15 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.283 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.612 ' CE2' ' HA ' ' A' ' 41' ' ' VAL . 1.4 p90 -90.78 -4.86 56.34 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.089 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.567 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -54.74 -50.78 83.89 Favored Pre-proline 0 CA--C 1.53 0.189 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.026 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 94.1 Cg_endo -81.91 -2.2 11.22 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.433 2.088 . . . . 0.0 112.559 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -87.69 -41.03 13.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.216 0.532 . . . . 0.0 110.938 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.9 m-30 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.727 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.775 0.322 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -69.74 125.53 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -105.34 -34.13 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.631 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.468 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 47.8 t 53.26 23.21 3.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.695 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.51 -3.59 50.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.204 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.567 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.4 mp -71.27 -10.8 60.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.645 0.259 . . . . 0.0 111.031 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.96 -19.37 75.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.621 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -71.12 -38.39 72.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t -80.41 -44.16 19.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.195 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.02 26.24 0.66 Allowed Glycine 0 CA--C 1.523 0.561 0 C-N-CA 121.163 -0.542 . . . . 0.0 114.044 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.8 pp -90.06 11.17 21.53 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.44 0.62 . . . . 0.0 111.515 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -69.72 -52.02 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.268 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.55 -42.03 86.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.075 0.464 . . . . 0.0 110.165 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.53 -36.99 82.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 109.947 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.32 -48.24 80.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.52 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.19 -54.94 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.203 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.82 -40.26 94.65 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.186 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.618 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -62.84 -47.4 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.362 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HA ' HG22 ' A' ' 22' ' ' VAL . 89.7 mt -69.04 -39.65 79.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.29 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -62.5 -53.55 53.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 0.0 111.203 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -62.36 -43.62 98.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.599 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 18' ' ' GLU . 27.4 m -69.23 -38.44 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.648 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -59.21 -48.04 83.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.1 mtt -71.75 -46.8 57.32 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.185 0.517 . . . . 0.0 110.751 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -55.81 -34.32 65.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.62 60.09 0.64 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.917 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.6 tp -51.11 -31.7 20.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -77.07 -4.03 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.363 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.887 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.4 tt -60.83 -26.23 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.688 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.58 -37.65 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -58.06 -40.66 81.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.25 -42.56 79.5 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.135 0.969 . . . . 0.0 108.494 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.601 HG23 HD23 ' A' ' 29' ' ' LEU . 6.4 t -58.7 -39.48 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.4 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.78 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.3 mt -59.47 -47.79 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 32' ' ' ALA . 53.1 t -57.21 -50.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 110.814 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.09 -49.12 78.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.354 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.56 -51.44 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 94.2 mt -63.02 -39.21 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.204 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.07 80.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 37' ' ' ALA . 54.1 t -63.21 -40.78 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.97 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.81 -30.5 65.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.434 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 76.3 mt -81.29 -25.52 10.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.899 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -79.93 -31.88 40.09 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.616 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.664 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.7 mmt180 -53.37 -50.9 80.22 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 3.3 Cg_exo -76.64 -3.37 13.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.703 2.269 . . . . 0.0 112.554 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.77 -40.97 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.442 0.639 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.2 p90 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.735 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.775 0.321 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -107.48 -38.79 5.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -127.51 164.77 21.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 41.6 m 71.79 -61.07 0.5 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.135 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -80.94 46.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.477 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' CD2' ' H ' ' A' ' 6' ' ' LEU . 1.9 pt? -73.54 -0.97 16.75 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.616 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -66.4 -15.29 63.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.938 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -69.66 -50.24 45.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.997 0.427 . . . . 0.0 110.562 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 12' ' ' THR . 8.8 t -80.33 -23.84 40.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.979 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -10.83 54.99 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.08 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 7' ' ' GLY . 78.3 mt -74.99 -2.26 26.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.746 0.273 . . . . 0.0 111.726 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 9' ' ' THR . 72.5 p -68.64 -56.31 8.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.63 -41.52 95.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.135 0.493 . . . . 0.0 110.235 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.0 -36.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.035 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.373 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.7 93.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.758 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -62.92 -44.14 96.9 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.673 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.79 ' O ' HG23 ' A' ' 22' ' ' VAL . 89.3 tt0 -61.98 -40.53 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.1 -36.91 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -53.0 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.717 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -61.52 -43.27 99.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 18' ' ' GLU . 61.2 t -68.08 -38.45 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.74 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -60.35 -47.71 84.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.27 -47.3 57.81 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.373 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -56.05 -34.39 65.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -127.32 55.65 0.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.451 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.7 pp -46.24 -26.44 0.79 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.896 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.5 p-90 -53.52 -24.83 14.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.341 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 33' ' ' VAL . 93.5 mt -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.87 -37.9 80.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.147 0.499 . . . . 0.0 110.565 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.87 -39.86 79.6 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 122.303 1.049 . . . . 0.0 108.72 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 29' ' ' LEU . 8.4 t -59.37 -47.33 90.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.791 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.37 -48.48 70.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.921 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.2 tt -61.74 -50.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.103 0.478 . . . . 0.0 110.988 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 32' ' ' ALA . 93.8 t -58.13 -43.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.854 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.17 -49.11 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.405 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 38.3 m80 -59.05 -51.22 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.095 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.89 HD12 ' N ' ' A' ' 40' ' ' ALA . 4.1 pp -65.35 -36.57 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.89 ' N ' HD12 ' A' ' 39' ' ' LEU . . . -57.28 -48.06 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.093 0.473 . . . . 0.0 110.229 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.647 HG22 ' CZ2' ' A' ' 44' ' ' TRP . 47.8 t -63.61 -40.64 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.5 m-30 -57.92 -29.81 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.816 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.4 mm -78.62 -45.12 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.217 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.647 ' CZ2' HG22 ' A' ' 41' ' ' VAL . 1.4 p90 -90.72 -4.94 56.34 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.072 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.565 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -55.06 -50.68 85.1 Favored Pre-proline 0 C--N 1.332 -0.17 0 C-N-CA 121.346 -0.142 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 95.7 Cg_endo -82.14 -1.04 10.59 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.472 2.115 . . . . 0.0 112.496 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -89.3 -41.09 12.37 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.279 0.561 . . . . 0.0 110.929 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.8 m-30 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.774 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.769 0.318 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -60.13 101.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? 60.38 98.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.0 p -158.13 -178.07 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 p30 44.16 28.63 0.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.661 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.5 -11.95 61.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.179 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -68.79 -10.51 61.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.934 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -69.62 -43.97 71.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.954 0.407 . . . . 0.0 110.713 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 12' ' ' THR . 9.4 t -80.82 -34.7 33.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.45 -7.21 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.993 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 7' ' ' GLY . 74.9 mt -57.4 -33.43 67.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.867 0.333 . . . . 0.0 111.114 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.3 t -70.34 -51.45 29.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.381 0.61 . . . . 0.0 110.884 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 12' ' ' THR . 36.8 t70 -64.37 -40.27 95.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.295 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.76 -43.45 79.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.568 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 12' ' ' THR . 19.5 pt20 -65.47 -48.05 73.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 15' ' ' GLN . . . -60.05 -54.41 46.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 111.376 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -62.62 -44.33 96.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.397 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -64.56 -51.17 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.54 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 91.8 mt -69.29 -44.35 71.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -60.48 -52.99 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.949 0.404 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 t -61.87 -43.42 98.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.056 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 18' ' ' GLU . 33.0 m -68.75 -39.0 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 19' ' ' LEU . 14.4 m-30 -61.82 -47.46 84.98 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.804 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.7 ttp -71.49 -47.46 55.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.722 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.9 t -56.46 -34.75 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.358 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 29' ' ' LEU . . . -134.21 55.54 0.74 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.975 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' TYR . 62.5 tp -68.29 -34.12 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.6 p-90 -77.49 -3.89 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD1' ' HA3' ' A' ' 26' ' ' GLY . 83.2 mt -67.05 -45.88 76.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.92 -37.98 77.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -60.15 -40.82 91.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.668 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -68.47 -40.33 81.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 122.041 0.924 . . . . 0.0 109.092 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.8 t -60.66 -46.43 95.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.977 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.77 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.792 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 36' ' ' VAL . 11.9 tt -65.1 -50.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.796 0.332 . . . . 0.0 111.559 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 32' ' ' ALA . 12.5 p -58.03 -47.88 85.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.27 -41.99 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.624 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -45.87 90.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.494 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.4 mt -59.18 -49.09 79.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.887 ' HB1' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.68 -48.31 77.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 110.586 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 37' ' ' ALA . 51.4 t -63.75 -38.49 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.002 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.88 -30.35 67.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.671 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 44.3 mm -77.37 -40.26 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.095 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.887 ' CZ3' ' HB1' ' A' ' 40' ' ' ALA . 5.3 m-90 -89.73 -4.69 57.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.934 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.552 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 4.7 tmm_? -66.09 -47.55 61.96 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 55.5 Cg_endo -89.28 -10.75 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.513 2.142 . . . . 0.0 113.319 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 22.2 m95 -94.17 -41.58 9.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.281 0.562 . . . . 0.0 111.04 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.946 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.68 -71.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 3' ' ' LYS . 35.7 ttmt -98.58 153.87 18.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.5 t -158.09 -77.89 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -80.41 -19.56 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.473 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 6' ' ' LEU . 2.8 mm? -70.91 -7.69 47.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.711 0.291 . . . . 0.0 110.842 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.43 -37.08 62.73 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.596 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.437 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 7.5 m-85 -71.31 -30.68 66.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 111.348 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 6' ' ' LEU . 9.1 t -84.92 -37.06 21.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.465 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.34 -13.54 58.32 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.636 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.6 pp -90.93 11.43 22.79 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -69.43 -51.48 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.492 0.187 . . . . 0.0 111.268 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -58.96 -41.97 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.74 -37.88 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.864 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -62.4 -48.24 80.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.63 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.98 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.34 -44.19 97.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.269 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 tm-20 -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.198 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.466 HD23 ' OE1' ' A' ' 18' ' ' GLU . 96.5 mt -68.53 -42.08 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.127 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -52.23 66.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.412 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 18' ' ' GLU . 67.1 t -66.86 -39.14 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.282 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.7 m-30 -64.12 -47.38 80.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.377 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.5 tpp -71.12 -48.06 54.41 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 111.104 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 96.3 p -59.54 -34.57 72.83 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -81.27 -59.05 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.958 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 27' ' ' LEU . 3.3 pp 45.6 21.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -130.35 22.15 5.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.309 . . . . 0.0 110.777 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.886 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.9 tm? -67.05 -28.47 68.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.789 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -58.73 -37.83 77.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.211 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -59.41 -40.85 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.48 -40.63 80.88 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 122.02 0.914 . . . . 0.0 108.92 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.674 HG23 HD13 ' A' ' 29' ' ' LEU . 10.0 t -59.28 -45.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.933 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.34 -48.36 70.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.919 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 36' ' ' VAL . 11.6 tt -67.21 -50.54 62.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 111.265 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 32' ' ' ALA . 80.2 t -60.64 -52.23 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.03 -40.33 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -58.62 -50.42 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.06 -46.37 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.977 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -57.6 -48.13 80.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 37' ' ' ALA . 47.9 t -66.58 -42.37 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.027 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.59 -30.83 67.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 40' ' ' ALA . 39.8 pt -86.91 -27.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.694 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -88.4 -27.13 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.431 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.532 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 59.2 ttp85 -59.37 -50.37 87.72 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 87.5 Cg_endo -79.72 -8.28 14.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.366 2.044 . . . . 0.0 112.817 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -93.96 -41.51 9.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.273 0.559 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.644 -179.859 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.817 0.341 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -110.3 -25.23 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HE2' ' CA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -91.98 54.26 2.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.074 0.464 . . . . 0.0 110.117 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t -83.2 -175.51 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 1.5 m-20 51.63 32.89 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 9' ' ' THR . 2.0 pt? -70.89 -4.94 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.609 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.66 -1.85 32.86 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.385 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 5' ' ' ASP . 8.8 m-30 -67.59 -33.85 75.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.087 0.443 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 6' ' ' LEU . 8.8 t -80.63 -27.98 37.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.96 -8.47 49.17 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.2 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.5 pp -62.15 -15.37 45.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.861 0.331 . . . . 0.0 111.501 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.614 ' N ' HD12 ' A' ' 11' ' ' LEU . 82.6 p -68.5 -56.75 7.32 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.733 0.302 . . . . 0.0 111.053 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.12 -41.57 92.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 0.0 110.425 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.85 -36.96 85.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -61.29 -48.06 83.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.568 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.93 92.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.82 -44.64 95.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.469 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.72 -51.09 64.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.677 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 86.2 mt -67.95 -45.04 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.9 -48.64 80.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -61.67 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 18' ' ' GLU . 58.9 t -67.72 -38.89 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.011 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 10.9 m-30 -60.91 -47.57 85.78 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.743 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.31 -47.38 57.05 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.05 0.452 . . . . 0.0 110.697 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -56.4 -34.74 67.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.238 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.39 58.06 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.88 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.5 pp -52.36 -25.81 10.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 111.332 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.901 ' N ' HD12 ' A' ' 27' ' ' LEU . 30.1 t90 -70.63 -16.06 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.762 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.3 -25.65 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.49 -37.79 76.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -61.18 -41.49 96.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.74 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.709 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.38 -40.86 81.24 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 122.103 0.954 . . . . 0.0 108.665 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.79 -42.95 90.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 113.824 -1.535 . . . . 0.0 110.745 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -48.35 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.587 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 36' ' ' VAL . 8.8 tp -67.21 -50.23 65.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.975 0.416 . . . . 0.0 110.969 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 32' ' ' ALA . 67.3 t -59.07 -48.79 85.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.653 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.75 90.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -59.32 -43.92 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.578 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.76 -45.46 78.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.16 78.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 38' ' ' HIS . 8.6 p -63.39 -38.42 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.215 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.93 -30.85 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.5 mt -81.48 -24.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.954 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -68.75 -32.91 73.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.775 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.754 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 78.7 ttt180 -65.04 -54.95 30.22 Favored Pre-proline 0 CA--C 1.531 0.225 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 6.4 Cg_exo -74.15 -6.27 18.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.445 2.096 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 3.3 t-105 -90.42 -41.34 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.138 0.494 . . . . 0.0 110.781 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 47' ' ' TRP . 16.9 p90 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.78 0.324 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -76.91 78.01 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' ' 3' ' ' LYS . 5.3 ptpt -55.96 -53.11 60.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.317 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.0 t 57.65 21.04 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.359 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.68 -2.32 46.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.289 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.5 mp -71.33 -10.01 59.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.626 0.25 . . . . 0.0 111.25 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.03 -19.26 73.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.673 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -71.27 -39.43 71.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 111.033 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 t -80.31 -43.68 20.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.86 26.1 0.64 Allowed Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.185 -0.531 . . . . 0.0 113.979 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.8 pp -90.12 11.47 20.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.496 0.648 . . . . 0.0 111.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -69.84 -51.96 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.28 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -58.77 -41.99 87.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.108 0.48 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -67.6 -37.62 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.808 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -61.77 -48.23 81.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.614 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.06 -54.99 37.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.162 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.16 -39.3 92.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.184 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.627 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -62.99 -47.81 81.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.291 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 22' ' ' VAL . 90.6 mt -69.14 -39.9 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.246 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -62.3 -53.66 51.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 111.188 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -62.05 -43.76 98.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.653 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 18' ' ' GLU . 27.2 m -69.11 -38.48 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.76 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -58.78 -47.84 83.31 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.759 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt -71.5 -47.03 58.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.73 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -56.2 -34.56 66.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.154 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.86 59.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.982 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.1 tp -51.09 -31.9 20.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -75.25 -6.21 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.287 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.893 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.4 tt -59.09 -26.14 64.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.705 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.62 -37.63 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.419 . . . . 0.0 110.647 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 t -57.98 -40.64 81.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.19 -42.57 79.73 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.993 0.901 . . . . 0.0 108.582 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.643 HG23 HD23 ' A' ' 29' ' ' LEU . 15.9 t -58.89 -39.41 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.482 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.97 76.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.662 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -59.34 -47.71 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 32' ' ' ALA . 54.4 t -57.4 -50.74 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.754 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.08 -49.08 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.319 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.83 -51.24 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -62.58 -39.48 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.56 81.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.418 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' ALA . 54.8 t -63.23 -41.36 92.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.016 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.99 -30.72 66.27 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 76.1 mt -81.04 -24.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.844 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -80.41 -31.49 37.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.675 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.656 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.6 mmt180 -53.5 -50.67 81.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 2.7 Cg_exo -76.33 -4.27 14.85 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.445 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.46 -40.92 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.237 0.541 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.3 p90 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.773 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.855 0.36 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -79.72 149.18 31.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -151.89 151.31 31.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.464 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.1 m -158.17 -67.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' H ' HD22 ' A' ' 6' ' ' LEU . 38.1 t70 -160.54 37.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 6' ' ' LEU . 2.7 mm? -75.53 7.57 3.56 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.997 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.26 -37.17 90.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.904 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 47.0 m-85 -70.09 -38.01 75.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 111.003 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -84.96 -28.71 25.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.283 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.01 -15.24 60.18 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.803 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.1 pp -90.89 22.86 3.4 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.7 t -69.06 -53.1 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.45 0.643 . . . . 0.0 110.72 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' HG23 ' A' ' 12' ' ' THR . 12.2 p-10 -64.76 -38.66 91.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.237 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.5 -42.87 86.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.265 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' THR . 17.7 pt20 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.07 38.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.251 0.548 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.57 -38.3 89.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.839 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.5 tp10 -62.41 -49.93 73.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 91.3 mt -68.55 -41.07 80.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -59.31 -48.89 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.464 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.82 -43.18 99.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 18' ' ' GLU . 60.6 t -65.8 -38.83 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.1 m-30 -65.09 -47.25 77.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.413 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.85 -48.16 55.44 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.019 0.438 . . . . 0.0 111.024 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 89.3 p -59.83 -34.63 73.34 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -85.75 -15.97 64.57 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.738 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 27' ' ' LEU . 3.6 pp 43.38 22.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CE3' ' HA3' ' A' ' 26' ' ' GLY . 5.3 m-90 -95.93 44.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.93 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.0 mm? -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.8 p90 -63.0 -37.59 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -57.4 -40.3 77.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.739 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -68.36 -37.67 80.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.872 0.844 . . . . 0.0 109.122 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.1 t -63.04 -45.98 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.146 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.28 79.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.677 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.559 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -66.91 -50.29 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.522 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 32' ' ' ALA . 13.1 p -58.35 -47.16 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 36' ' ' VAL . . . -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -58.92 -42.87 90.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.427 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.9 mt -68.01 -45.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.019 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.58 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.82 -39.54 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.957 0.408 . . . . 0.0 110.406 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.97 -30.44 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.641 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.5 mm -81.65 -29.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.193 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -83.24 -37.64 23.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.806 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 79.2 ttt180 -50.29 -47.52 82.54 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 5.3 Cg_exo -78.17 -5.37 15.05 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.795 2.33 . . . . 0.0 112.574 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -89.79 -41.36 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.311 0.577 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.929 179.751 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.772 0.32 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.92 76.07 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.676 ' HD3' HD12 ' A' ' 6' ' ' LEU . 63.1 mmtt 60.49 80.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.394 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.9 m -159.4 133.53 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 66.47 11.7 8.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.626 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 3' ' ' LYS . 81.4 mt -76.46 10.58 2.0 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.777 ' O ' HD23 ' A' ' 11' ' ' LEU . . . -66.34 -24.12 72.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.648 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 5.6 t80 -70.86 -29.55 65.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.795 0.331 . . . . 0.0 110.453 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -80.39 -25.04 39.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.601 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.76 -13.23 65.8 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.014 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 7' ' ' GLY . 2.3 mm? -90.59 62.17 5.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.172 0.51 . . . . 0.0 110.896 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.537 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 37.8 p -66.06 -40.54 91.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.288 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -63.81 -41.17 97.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.733 ' HG3' HD12 ' A' ' 11' ' ' LEU . 62.9 mm-40 -64.02 -45.8 87.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.54 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 12' ' ' THR . 11.7 pt20 -65.01 -36.35 84.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.81 91.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.411 0.624 . . . . 0.0 110.227 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.69 -38.58 90.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.188 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.2 -38.73 87.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' O ' HG12 ' A' ' 22' ' ' VAL . 90.2 mt -68.25 -41.45 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.102 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -62.22 -45.4 93.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.542 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.9 p -61.78 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 19' ' ' LEU . 8.5 p -69.21 -38.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.667 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.46 -46.92 85.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -70.63 -47.26 60.95 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.13 33.34 6.33 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.112 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.64 -24.62 14.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.544 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -87.73 32.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.518 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.8 tp -67.08 -38.89 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.762 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 71.1 t80 -61.8 -37.32 83.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.7 m -57.42 -40.37 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.29 -38.03 81.24 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.92 0.867 . . . . 0.0 108.818 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.7 t -62.73 -42.94 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.917 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.427 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 36' ' ' VAL . 24.2 pt -62.7 -46.18 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.189 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 32' ' ' ALA . 67.7 t -59.28 -48.33 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.769 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -59.9 -42.23 93.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -58.96 -52.36 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.181 0.515 . . . . 0.0 110.627 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.9 mt -59.18 -45.06 92.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.689 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.84 79.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 37' ' ' ALA . 51.2 t -63.32 -44.82 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.73 -30.42 65.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.448 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 74.0 mt -79.8 -25.39 12.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.907 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 31.9 t90 -87.77 -5.05 58.83 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.651 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 47.2 mmm-85 -60.01 -47.31 97.34 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 13.8 Cg_exo -69.35 -10.54 29.15 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.52 2.146 . . . . 0.0 112.437 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 18.9 m95 -91.21 -41.33 11.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.291 0.567 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.89 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.875 0.369 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -139.81 -175.53 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -128.15 152.28 48.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.62 ' OG ' HD21 ' A' ' 6' ' ' LEU . 79.5 p -158.5 54.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.425 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.8 p30 44.64 50.6 8.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.357 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.62 HD21 ' OG ' ' A' ' 4' ' ' SER . 3.0 mm? -75.79 41.34 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.835 178.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.81 -115.6 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.613 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' OG1' ' A' ' 9' ' ' THR . 48.5 t80 -71.16 -13.87 62.08 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.633 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 8' ' ' TYR . 19.6 p 71.27 -14.51 0.46 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.516 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . -69.74 -18.35 73.99 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.844 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD12 ' N ' ' A' ' 12' ' ' THR . 2.7 pp -61.44 -19.03 61.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.285 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.781 ' N ' HD12 ' A' ' 11' ' ' LEU . 40.3 p -70.13 -43.08 71.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.975 0.417 . . . . 0.0 111.702 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.02 -41.67 90.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.98 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' HA ' ' A' ' 11' ' ' LEU . 24.7 pt-20 -67.17 -42.29 84.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.156 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 12' ' ' THR . 18.0 pt20 -64.14 -43.92 93.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.722 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -61.87 -36.12 80.33 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.8 tm-20 -61.79 -49.9 74.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.32 -44.61 78.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.378 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -59.81 -42.03 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.9 m -61.75 -43.14 99.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.678 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 18' ' ' GLU . 50.0 t -66.33 -38.91 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -61.18 -47.33 86.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.8 ttt -70.98 -47.42 59.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m -56.63 -34.92 67.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.168 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.24 41.67 2.07 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.579 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 27' ' ' LEU . 2.1 pt? -58.34 -23.67 57.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.692 0.282 . . . . 0.0 111.197 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.406 ' O ' ' CG ' ' A' ' 28' ' ' TRP . 27.3 t90 -96.58 14.66 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.167 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.25 -32.52 73.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -58.88 -37.88 77.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' ' NE1' ' A' ' 28' ' ' TRP . 55.7 m -61.75 -40.7 96.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.66 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -68.37 -40.32 81.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 122.031 0.92 . . . . 0.0 108.754 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.47 -42.44 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.47 -48.25 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.746 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.2 tt -65.74 -50.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.981 0.42 . . . . 0.0 111.347 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 32' ' ' ALA . 32.6 m -58.89 -46.49 91.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' N ' HG23 ' A' ' 36' ' ' VAL . . . -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -58.63 -44.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' HG12 ' A' ' 43' ' ' ILE . 87.5 mt -66.59 -45.47 79.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.827 ' HB1' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.58 -48.32 77.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.1 p -63.72 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.444 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.46 -30.62 68.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.3 mm -77.56 -39.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.018 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.827 ' CZ3' ' HB1' ' A' ' 40' ' ' ALA . 6.2 m-90 -83.25 -14.96 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.623 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 3.0 tpm_? -57.09 -53.15 68.33 Favored Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 121.267 -0.173 . . . . 0.0 110.798 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 89.3 Cg_endo -78.68 -4.22 13.9 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.342 2.028 . . . . 0.0 112.491 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -93.85 -41.38 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.269 0.557 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.884 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.77 0.319 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -107.83 -37.87 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -128.32 164.89 21.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 43.8 m 71.64 -60.79 0.51 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.156 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.402 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 56.2 m-20 -81.12 47.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.716 0.293 . . . . 0.0 111.467 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' CD2' ' H ' ' A' ' 6' ' ' LEU . 2.0 pt? -73.52 -1.33 18.15 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.588 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -66.17 -15.78 63.6 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.914 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 51.0 m-85 -69.46 -50.15 48.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 0.0 110.525 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 12' ' ' THR . 8.7 t -80.22 -24.14 40.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.906 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.33 -10.83 54.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.046 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 7' ' ' GLY . 77.2 mt -73.86 -3.6 29.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.829 0.314 . . . . 0.0 111.73 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 9' ' ' THR . 73.9 p -68.56 -56.57 7.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.4 -41.47 93.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.452 . . . . 0.0 110.238 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.08 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.971 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.16 -48.17 82.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.331 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.02 94.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.724 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.59 -44.1 97.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.623 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.787 ' O ' HG23 ' A' ' 22' ' ' VAL . 89.3 tt0 -62.05 -40.82 97.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.719 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.95 -36.84 78.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -53.11 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.55 -43.19 99.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 18' ' ' GLU . 60.9 t -67.98 -38.47 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.94 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -70.92 -47.44 59.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.157 0.503 . . . . 0.0 110.416 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 t -56.32 -34.84 66.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -126.08 54.3 0.76 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 114.9 -1.046 . . . . 0.0 112.494 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.6 pp -46.28 -26.43 0.8 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.896 ' N ' HD12 ' A' ' 27' ' ' LEU . 13.0 p-90 -52.9 -25.28 11.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 33' ' ' VAL . 93.9 mt -60.31 -30.59 69.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.61 -38.01 80.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.023 0.44 . . . . 0.0 110.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.966 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.69 -40.0 80.25 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 122.115 0.959 . . . . 0.0 108.808 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.7 t -59.44 -47.51 90.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.874 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.45 -48.32 70.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.911 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -61.72 -50.06 81.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.047 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 32' ' ' ALA . 89.5 t -58.32 -43.58 86.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.9 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.05 -49.05 79.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.439 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' O ' ' CD1' ' A' ' 42' ' ' TYR . 38.3 m80 -59.3 -51.23 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.891 HD12 ' N ' ' A' ' 40' ' ' ALA . 4.1 pp -65.42 -36.49 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.891 ' N ' HD12 ' A' ' 39' ' ' LEU . . . -57.59 -48.11 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.31 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.612 ' HA ' ' CE2' ' A' ' 44' ' ' TRP . 47.5 t -63.5 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.216 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.3 m-30 -58.15 -30.03 66.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.031 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.7 mm -78.5 -45.15 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.283 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.612 ' CE2' ' HA ' ' A' ' 41' ' ' VAL . 1.4 p90 -90.78 -4.86 56.34 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.089 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.567 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -54.74 -50.78 83.89 Favored Pre-proline 0 CA--C 1.53 0.189 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.026 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 94.1 Cg_endo -81.91 -2.2 11.22 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.433 2.088 . . . . 0.0 112.559 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -87.69 -41.03 13.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.216 0.532 . . . . 0.0 110.938 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.9 m-30 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.727 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 114.044 0.378 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.8 pp -90.06 11.17 21.53 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.44 0.62 . . . . 0.0 111.515 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -69.72 -52.02 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.268 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.55 -42.03 86.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.075 0.464 . . . . 0.0 110.165 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.53 -36.99 82.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 109.947 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.32 -48.24 80.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.52 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.19 -54.94 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.203 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.82 -40.26 94.65 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.186 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.618 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -62.84 -47.4 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.362 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HA ' HG22 ' A' ' 22' ' ' VAL . 89.7 mt -69.04 -39.65 79.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.29 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 81.4 t60 -62.5 -53.55 53.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 0.0 111.203 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -62.36 -43.62 98.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.599 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 18' ' ' GLU . 27.4 m -69.23 -38.44 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.648 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -59.21 -48.04 83.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.466 ' CE ' ' CE1' ' A' ' 20' ' ' HIS . 63.1 mtt -71.75 -46.8 57.32 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.185 0.517 . . . . 0.0 110.751 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -55.81 -34.32 65.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.62 60.09 0.64 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.917 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.6 tp -51.11 -31.7 20.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -77.07 -4.03 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.363 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.887 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.4 tt -60.83 -26.23 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.688 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.58 -37.65 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -58.06 -40.66 81.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.25 -42.56 79.5 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.135 0.969 . . . . 0.0 108.494 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.601 HG23 HD23 ' A' ' 29' ' ' LEU . 6.4 t -58.7 -39.48 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.4 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.78 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.3 mt -59.47 -47.79 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 32' ' ' ALA . 53.1 t -57.21 -50.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 110.814 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.09 -49.12 78.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.354 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.56 -51.44 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 94.2 mt -63.02 -39.21 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.204 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.07 80.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 37' ' ' ALA . 54.1 t -63.21 -40.78 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.97 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.81 -30.5 65.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.434 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 76.3 mt -81.29 -25.52 10.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.899 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -79.93 -31.88 40.09 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.616 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.664 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.7 mmt180 -53.37 -50.9 80.22 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 3.3 Cg_exo -76.64 -3.37 13.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.703 2.269 . . . . 0.0 112.554 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.77 -40.97 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.442 0.639 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.2 p90 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.735 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 120.393 -0.115 . . . . 0.0 113.08 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -74.99 -2.26 26.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.746 0.273 . . . . 0.0 111.726 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -68.64 -56.31 8.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.63 -41.52 95.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.135 0.493 . . . . 0.0 110.235 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.0 -36.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.035 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.373 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.7 93.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.758 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -62.92 -44.14 96.9 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.673 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.79 ' O ' HG23 ' A' ' 22' ' ' VAL . 89.3 tt0 -61.98 -40.53 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.1 -36.91 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -61.63 -53.0 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.717 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -61.52 -43.27 99.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 18' ' ' GLU . 61.2 t -68.08 -38.45 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.74 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -60.35 -47.71 84.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.27 -47.3 57.81 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.373 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -56.05 -34.39 65.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -127.32 55.65 0.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.451 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.7 pp -46.24 -26.44 0.79 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.896 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.5 p-90 -53.52 -24.83 14.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.341 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 33' ' ' VAL . 93.5 mt -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.87 -37.9 80.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.147 0.499 . . . . 0.0 110.565 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.87 -39.86 79.6 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 122.303 1.049 . . . . 0.0 108.72 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 29' ' ' LEU . 8.4 t -59.37 -47.33 90.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.791 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . -66.37 -48.48 70.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.921 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.2 tt -61.74 -50.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.103 0.478 . . . . 0.0 110.988 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 32' ' ' ALA . 93.8 t -58.13 -43.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.854 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.17 -49.11 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 87.4 m-70 -59.05 -51.22 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.095 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.89 HD12 ' N ' ' A' ' 40' ' ' ALA . 4.1 pp -65.35 -36.57 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.89 ' N ' HD12 ' A' ' 39' ' ' LEU . . . -57.28 -48.06 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.093 0.473 . . . . 0.0 110.229 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.647 HG22 ' CZ2' ' A' ' 44' ' ' TRP . 47.8 t -63.61 -40.64 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.5 m-30 -57.92 -29.81 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.816 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.4 mm -78.62 -45.12 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.217 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.647 ' CZ2' HG22 ' A' ' 41' ' ' VAL . 1.4 p90 -90.72 -4.94 56.34 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.072 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.565 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -55.06 -50.68 85.1 Favored Pre-proline 0 C--N 1.332 -0.17 0 C-N-CA 121.346 -0.142 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 95.7 Cg_endo -82.14 -1.04 10.59 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.472 2.115 . . . . 0.0 112.496 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -89.3 -41.09 12.37 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.279 0.561 . . . . 0.0 110.929 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.8 m-30 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.774 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 120.391 -0.116 . . . . 0.0 112.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.4 -33.43 67.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.867 0.333 . . . . 0.0 111.114 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.3 t -70.34 -51.45 29.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.381 0.61 . . . . 0.0 110.884 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 12' ' ' THR . 36.8 t70 -64.37 -40.27 95.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.295 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.76 -43.45 79.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.568 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 12' ' ' THR . 19.5 pt20 -65.47 -48.05 73.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 15' ' ' GLN . . . -60.05 -54.41 46.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 111.376 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.62 -44.33 96.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.397 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -64.56 -51.17 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.54 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 91.8 mt -69.29 -44.35 71.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -60.48 -52.99 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.949 0.404 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 t -61.87 -43.42 98.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.056 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 18' ' ' GLU . 33.0 m -68.75 -39.0 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 19' ' ' LEU . 14.4 m-30 -61.82 -47.46 84.98 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.804 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.7 ttp -71.49 -47.46 55.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.722 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.9 t -56.46 -34.75 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.358 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 29' ' ' LEU . . . -134.21 55.54 0.74 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.975 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' TYR . 62.5 tp -68.29 -34.12 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.6 p-90 -77.49 -3.89 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD1' ' HA3' ' A' ' 26' ' ' GLY . 83.2 mt -67.05 -45.88 76.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.92 -37.98 77.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -60.15 -40.82 91.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.668 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -68.47 -40.33 81.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 122.041 0.924 . . . . 0.0 109.092 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.8 t -60.66 -46.43 95.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.977 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.77 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.792 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 36' ' ' VAL . 11.9 tt -65.1 -50.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.796 0.332 . . . . 0.0 111.559 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 32' ' ' ALA . 12.5 p -58.03 -47.88 85.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.27 -41.99 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.624 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -59.35 -45.87 90.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.494 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.4 mt -59.18 -49.09 79.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.887 ' HB1' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.68 -48.31 77.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 110.586 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 37' ' ' ALA . 51.4 t -63.75 -38.49 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.002 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.88 -30.35 67.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.671 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 44.3 mm -77.37 -40.26 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.095 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.887 ' CZ3' ' HB1' ' A' ' 40' ' ' ALA . 5.3 m-90 -89.73 -4.69 57.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.934 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.552 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 4.7 tmm_? -66.09 -47.55 61.96 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 55.5 Cg_endo -89.28 -10.75 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.513 2.142 . . . . 0.0 113.319 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 22.2 m95 -94.17 -41.58 9.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.281 0.562 . . . . 0.0 111.04 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.946 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.636 -0.185 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.6 pp -90.93 11.43 22.79 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -69.43 -51.48 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.492 0.187 . . . . 0.0 111.268 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -58.96 -41.97 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.74 -37.88 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.864 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -62.4 -48.24 80.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.63 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.98 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.34 -44.19 97.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.269 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 tm-20 -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.198 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.466 HD23 ' OE1' ' A' ' 18' ' ' GLU . 96.5 mt -68.53 -42.08 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.127 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -59.02 -52.23 66.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.412 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 18' ' ' GLU . 67.1 t -66.86 -39.14 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.282 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.7 m-30 -64.12 -47.38 80.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.377 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.5 tpp -71.12 -48.06 54.41 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 111.104 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 96.3 p -59.54 -34.57 72.83 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -81.27 -59.05 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.958 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 27' ' ' LEU . 3.3 pp 45.6 21.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -130.35 22.15 5.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.309 . . . . 0.0 110.777 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.886 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.9 tm? -67.05 -28.47 68.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.789 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -58.73 -37.83 77.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.211 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -59.41 -40.85 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.48 -40.63 80.88 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 122.02 0.914 . . . . 0.0 108.92 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.674 HG23 HD13 ' A' ' 29' ' ' LEU . 10.0 t -59.28 -45.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.933 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.34 -48.36 70.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.919 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 36' ' ' VAL . 11.6 tt -67.21 -50.54 62.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 111.265 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 32' ' ' ALA . 80.2 t -60.64 -52.23 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.03 -40.33 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -58.62 -50.42 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.06 -46.37 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.977 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -57.6 -48.13 80.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 37' ' ' ALA . 47.9 t -66.58 -42.37 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.027 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.59 -30.83 67.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 40' ' ' ALA . 39.8 pt -86.91 -27.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.694 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -88.4 -27.13 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.431 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.532 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 59.2 ttp85 -59.37 -50.37 87.72 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 87.5 Cg_endo -79.72 -8.28 14.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.366 2.044 . . . . 0.0 112.817 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -93.96 -41.51 9.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.273 0.559 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.644 -179.859 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.318 0 CA-C-O 120.407 -0.107 . . . . 0.0 113.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 11' ' ' LEU . 3.5 pp -62.15 -15.37 45.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.861 0.331 . . . . 0.0 111.501 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.614 ' N ' HD12 ' A' ' 11' ' ' LEU . 82.6 p -68.5 -56.75 7.32 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.733 0.302 . . . . 0.0 111.053 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.12 -41.57 92.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 0.0 110.425 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.85 -36.96 85.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -61.29 -48.06 83.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.568 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.93 92.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.82 -44.64 95.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.469 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.72 -51.09 64.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.677 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 86.2 mt -67.95 -45.04 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.9 -48.64 80.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -61.67 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 18' ' ' GLU . 58.9 t -67.72 -38.89 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.011 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 10.9 m-30 -60.91 -47.57 85.78 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.743 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.31 -47.38 57.05 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.05 0.452 . . . . 0.0 110.697 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -56.4 -34.74 67.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.238 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.39 58.06 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.88 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.5 pp -52.36 -25.81 10.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 111.332 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.901 ' N ' HD12 ' A' ' 27' ' ' LEU . 30.1 t90 -70.63 -16.06 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.762 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.3 -25.65 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.49 -37.79 76.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -61.18 -41.49 96.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.74 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.709 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.38 -40.86 81.24 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 122.103 0.954 . . . . 0.0 108.665 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.79 -42.95 90.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 113.824 -1.535 . . . . 0.0 110.745 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -48.35 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.587 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 36' ' ' VAL . 8.8 tp -67.21 -50.23 65.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.975 0.416 . . . . 0.0 110.969 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 32' ' ' ALA . 67.3 t -59.07 -48.79 85.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.653 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.75 90.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.3 t-160 -59.32 -43.92 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.578 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.76 -45.46 78.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.16 78.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 38' ' ' HIS . 8.6 p -63.39 -38.42 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.215 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.93 -30.85 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.5 mt -81.48 -24.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.954 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -68.75 -32.91 73.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.775 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.754 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 78.7 ttt180 -65.04 -54.95 30.22 Favored Pre-proline 0 CA--C 1.531 0.225 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 6.4 Cg_exo -74.15 -6.27 18.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.445 2.096 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 3.3 t-105 -90.42 -41.34 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.138 0.494 . . . . 0.0 110.781 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 47' ' ' TRP . 16.9 p90 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 113.979 0.351 . . . . 0.0 113.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.8 pp -90.12 11.47 20.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.496 0.648 . . . . 0.0 111.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -69.84 -51.96 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.28 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -58.77 -41.99 87.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.108 0.48 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -67.6 -37.62 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.808 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -61.77 -48.23 81.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.614 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.06 -54.99 37.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.162 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.16 -39.3 92.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.184 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.627 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -62.99 -47.81 81.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.291 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 22' ' ' VAL . 90.6 mt -69.14 -39.9 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.246 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.477 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 81.1 t60 -62.3 -53.66 51.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 111.188 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -62.05 -43.76 98.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.653 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 18' ' ' GLU . 27.2 m -69.11 -38.48 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.76 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -58.78 -47.84 83.31 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.759 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.477 ' CE ' ' CE1' ' A' ' 20' ' ' HIS . 63.3 mtt -71.5 -47.03 58.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.73 178.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -56.2 -34.56 66.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.154 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.86 59.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.982 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.1 tp -51.09 -31.9 20.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -75.25 -6.21 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.287 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.893 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.4 tt -59.09 -26.14 64.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.705 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.62 -37.63 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.419 . . . . 0.0 110.647 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 t -57.98 -40.64 81.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.19 -42.57 79.73 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.993 0.901 . . . . 0.0 108.582 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.643 HG23 HD23 ' A' ' 29' ' ' LEU . 15.9 t -58.89 -39.41 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.482 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.97 76.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.662 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.44 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -59.34 -47.71 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 32' ' ' ALA . 54.4 t -57.4 -50.74 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.754 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.08 -49.08 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.319 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.83 -51.24 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -62.58 -39.48 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.56 81.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.418 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' ALA . 54.8 t -63.23 -41.36 92.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.016 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.99 -30.72 66.27 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 76.1 mt -81.04 -24.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.844 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -80.41 -31.49 37.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.675 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.656 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.6 mmt180 -53.5 -50.67 81.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 2.7 Cg_exo -76.33 -4.27 14.85 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.445 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.46 -40.92 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.237 0.541 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.3 p90 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.773 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.51 0 N-CA-C 112.803 -0.119 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.505 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.1 pp -90.89 22.86 3.4 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.7 t -69.06 -53.1 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.45 0.643 . . . . 0.0 110.72 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' HG23 ' A' ' 12' ' ' THR . 12.2 p-10 -64.76 -38.66 91.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.237 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.5 -42.87 86.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.265 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' THR . 17.7 pt20 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.07 38.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.251 0.548 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.57 -38.3 89.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.839 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.5 tp10 -62.41 -49.93 73.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 91.3 mt -68.55 -41.07 80.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -59.31 -48.89 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.464 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.82 -43.18 99.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 18' ' ' GLU . 60.6 t -65.8 -38.83 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.1 m-30 -65.09 -47.25 77.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.413 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.85 -48.16 55.44 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.019 0.438 . . . . 0.0 111.024 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 89.3 p -59.83 -34.63 73.34 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -85.75 -15.97 64.57 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.738 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 27' ' ' LEU . 3.6 pp 43.38 22.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CE3' ' HA3' ' A' ' 26' ' ' GLY . 5.3 m-90 -95.93 44.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.93 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.0 mm? -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.8 p90 -63.0 -37.59 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -57.4 -40.3 77.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.739 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -68.36 -37.67 80.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.872 0.844 . . . . 0.0 109.122 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.1 t -63.04 -45.98 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.146 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.28 79.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.677 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.559 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -66.91 -50.29 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.522 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 32' ' ' ALA . 13.1 p -58.35 -47.16 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 36' ' ' VAL . . . -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -58.92 -42.87 90.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.427 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.9 mt -68.01 -45.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.019 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.58 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.82 -39.54 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.957 0.408 . . . . 0.0 110.406 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.97 -30.44 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.641 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.5 mm -81.65 -29.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.193 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -83.24 -37.64 23.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.806 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 79.2 ttt180 -50.29 -47.52 82.54 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 5.3 Cg_exo -78.17 -5.37 15.05 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.795 2.33 . . . . 0.0 112.574 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -89.79 -41.36 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.311 0.577 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.929 179.751 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.186 0 N-CA-C 112.014 -0.435 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD12 ' HG3' ' A' ' 14' ' ' GLU . 2.3 mm? -90.59 62.17 5.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.172 0.51 . . . . 0.0 110.896 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.537 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 37.8 p -66.06 -40.54 91.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.288 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -63.81 -41.17 97.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.733 ' HG3' HD12 ' A' ' 11' ' ' LEU . 62.9 mm-40 -64.02 -45.8 87.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.54 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 12' ' ' THR . 16.4 pt20 -65.01 -36.35 84.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.81 91.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.411 0.624 . . . . 0.0 110.227 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.69 -38.58 90.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.188 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.2 -38.73 87.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' O ' HG12 ' A' ' 22' ' ' VAL . 90.2 mt -68.25 -41.45 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.102 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -62.22 -45.4 93.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.542 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.9 p -61.78 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 19' ' ' LEU . 8.5 p -69.21 -38.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.667 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.46 -46.92 85.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -70.63 -47.26 60.95 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.13 33.34 6.33 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.112 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.64 -24.62 14.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.544 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -87.73 32.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.518 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.8 tp -67.08 -38.89 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.762 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 71.1 t80 -61.8 -37.32 83.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.7 m -57.42 -40.37 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.29 -38.03 81.24 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.92 0.867 . . . . 0.0 108.818 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.7 t -62.73 -42.94 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.917 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.427 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 36' ' ' VAL . 24.2 pt -62.7 -46.18 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.189 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 32' ' ' ALA . 67.7 t -59.28 -48.33 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.769 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -59.9 -42.23 93.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -58.96 -52.36 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.181 0.515 . . . . 0.0 110.627 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.9 mt -59.18 -45.06 92.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.689 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.84 79.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 37' ' ' ALA . 51.2 t -63.32 -44.82 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.73 -30.42 65.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.448 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 74.0 mt -79.8 -25.39 12.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.907 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 31.9 t90 -87.77 -5.05 58.83 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.651 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 47.2 mmm-85 -60.01 -47.31 97.34 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 13.8 Cg_exo -69.35 -10.54 29.15 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.52 2.146 . . . . 0.0 112.437 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 18.9 m95 -91.21 -41.33 11.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.291 0.567 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.89 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.781 HD12 ' N ' ' A' ' 12' ' ' THR . 2.7 pp -61.44 -19.03 61.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.285 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.781 ' N ' HD12 ' A' ' 11' ' ' LEU . 40.3 p -70.13 -43.08 71.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.975 0.417 . . . . 0.0 111.702 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.02 -41.67 90.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.98 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' HA ' ' A' ' 11' ' ' LEU . 24.7 pt-20 -67.17 -42.29 84.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.156 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 12' ' ' THR . 18.0 pt20 -64.14 -43.92 93.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.722 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -61.87 -36.12 80.33 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.8 tm-20 -61.79 -49.9 74.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.32 -44.61 78.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.378 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -59.81 -42.03 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.9 m -61.75 -43.14 99.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.678 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 18' ' ' GLU . 50.0 t -66.33 -38.91 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -61.18 -47.33 86.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.8 ttt -70.98 -47.42 59.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m -56.63 -34.92 67.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.168 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.24 41.67 2.07 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.579 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 27' ' ' LEU . 2.1 pt? -58.34 -23.67 57.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.692 0.282 . . . . 0.0 111.197 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.406 ' O ' ' CG ' ' A' ' 28' ' ' TRP . 27.3 t90 -96.58 14.66 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.167 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.25 -32.52 73.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -58.88 -37.88 77.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' ' NE1' ' A' ' 28' ' ' TRP . 55.7 m -61.75 -40.7 96.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.66 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -68.37 -40.32 81.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 122.031 0.92 . . . . 0.0 108.754 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.47 -42.44 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.47 -48.25 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.746 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.2 tt -65.74 -50.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.981 0.42 . . . . 0.0 111.347 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 32' ' ' ALA . 32.6 m -58.89 -46.49 91.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' N ' HG23 ' A' ' 36' ' ' VAL . . . -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 t-160 -58.63 -44.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' HG12 ' A' ' 43' ' ' ILE . 87.5 mt -66.59 -45.47 79.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.827 ' HB1' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.58 -48.32 77.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.1 p -63.72 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.444 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.46 -30.62 68.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.3 mm -77.56 -39.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.018 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.827 ' CZ3' ' HB1' ' A' ' 40' ' ' ALA . 6.2 m-90 -83.25 -14.96 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.623 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 3.0 tpm_? -57.09 -53.15 68.33 Favored Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 121.267 -0.173 . . . . 0.0 110.798 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 89.3 Cg_endo -78.68 -4.22 13.9 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.342 2.028 . . . . 0.0 112.491 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -93.85 -41.38 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.269 0.557 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.884 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 CA-C-O 120.474 -0.07 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.2 mt -73.86 -3.6 29.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.829 0.314 . . . . 0.0 111.73 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.9 p -68.56 -56.57 7.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.4 -41.47 93.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.452 . . . . 0.0 110.238 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.08 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.971 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.16 -48.17 82.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.331 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.02 94.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.724 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.59 -44.1 97.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.623 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.787 ' O ' HG23 ' A' ' 22' ' ' VAL . 89.3 tt0 -62.05 -40.82 97.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.719 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.95 -36.84 78.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -61.54 -53.11 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.55 -43.19 99.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 18' ' ' GLU . 60.9 t -67.98 -38.47 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.94 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -70.92 -47.44 59.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.157 0.503 . . . . 0.0 110.416 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 t -56.32 -34.84 66.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -126.08 54.3 0.76 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 114.9 -1.046 . . . . 0.0 112.494 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.6 pp -46.28 -26.43 0.8 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.896 ' N ' HD12 ' A' ' 27' ' ' LEU . 13.0 p-90 -52.9 -25.28 11.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 33' ' ' VAL . 93.9 mt -60.31 -30.59 69.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.61 -38.01 80.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.023 0.44 . . . . 0.0 110.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.966 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.69 -40.0 80.25 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 122.115 0.959 . . . . 0.0 108.808 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.7 t -59.44 -47.51 90.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.874 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . -66.45 -48.32 70.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.911 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -61.72 -50.06 81.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.047 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 32' ' ' ALA . 89.5 t -58.32 -43.58 86.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.9 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.05 -49.05 79.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.439 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 87.2 m-70 -59.3 -51.23 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.891 HD12 ' N ' ' A' ' 40' ' ' ALA . 4.1 pp -65.42 -36.49 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.891 ' N ' HD12 ' A' ' 39' ' ' LEU . . . -57.59 -48.11 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.31 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.612 ' HA ' ' CE2' ' A' ' 44' ' ' TRP . 47.5 t -63.5 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.216 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.3 m-30 -58.15 -30.03 66.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.031 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.7 mm -78.5 -45.15 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.283 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.612 ' CE2' ' HA ' ' A' ' 41' ' ' VAL . 1.4 p90 -90.78 -4.86 56.34 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.089 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.567 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -54.74 -50.78 83.89 Favored Pre-proline 0 CA--C 1.53 0.189 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.026 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 94.1 Cg_endo -81.91 -2.2 11.22 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.433 2.088 . . . . 0.0 112.559 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -87.69 -41.03 13.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.216 0.532 . . . . 0.0 110.938 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.9 m-30 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.727 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.775 0.322 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -69.74 125.53 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -105.34 -34.13 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.631 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.468 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 47.8 t 53.26 23.21 3.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.695 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.51 -3.59 50.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.204 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.567 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.4 mp -71.27 -10.8 60.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.645 0.259 . . . . 0.0 111.031 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.96 -19.37 75.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.621 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -71.12 -38.39 72.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.743 0.306 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t -80.41 -44.16 19.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.195 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.02 26.24 0.66 Allowed Glycine 0 CA--C 1.523 0.561 0 C-N-CA 121.163 -0.542 . . . . 0.0 114.044 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.8 pp -90.06 11.17 21.53 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.44 0.62 . . . . 0.0 111.515 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -69.72 -52.02 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.268 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -58.55 -42.03 86.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.075 0.464 . . . . 0.0 110.165 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.53 -36.99 82.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 109.947 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -62.32 -48.24 80.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.52 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.19 -54.94 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.203 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.82 -40.26 94.65 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.186 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.618 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -62.84 -47.4 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.362 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HA ' HG22 ' A' ' 22' ' ' VAL . 89.7 mt -69.04 -39.65 79.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.29 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 81.4 t60 -62.5 -53.55 53.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.047 0.451 . . . . 0.0 111.203 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -62.36 -43.62 98.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.599 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 18' ' ' GLU . 27.4 m -69.23 -38.44 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.648 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -59.21 -48.04 83.09 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.466 ' CE ' ' CE1' ' A' ' 20' ' ' HIS . 63.1 mtt -71.75 -46.8 57.32 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.185 0.517 . . . . 0.0 110.751 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -55.81 -34.32 65.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.62 60.09 0.64 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.917 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.6 tp -51.11 -31.7 20.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 111.226 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -77.07 -4.03 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.363 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.887 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.4 tt -60.83 -26.23 67.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.688 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.58 -37.65 76.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -58.06 -40.66 81.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.25 -42.56 79.5 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.135 0.969 . . . . 0.0 108.494 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.601 HG23 HD23 ' A' ' 29' ' ' LEU . 6.4 t -58.7 -39.48 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.4 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.78 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.3 mt -59.47 -47.79 89.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 32' ' ' ALA . 53.1 t -57.21 -50.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 110.814 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.09 -49.12 78.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.354 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.56 -51.44 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 94.2 mt -63.02 -39.21 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.204 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.07 80.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 37' ' ' ALA . 54.1 t -63.21 -40.78 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.97 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.81 -30.5 65.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.434 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 76.3 mt -81.29 -25.52 10.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.899 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -79.93 -31.88 40.09 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.616 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.664 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.7 mmt180 -53.37 -50.9 80.22 Favored Pre-proline 0 CA--C 1.531 0.22 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 3.3 Cg_exo -76.64 -3.37 13.72 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.703 2.269 . . . . 0.0 112.554 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.443 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.77 -40.97 9.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.442 0.639 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.2 p90 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.735 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.775 0.321 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -107.48 -38.79 5.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -127.51 164.77 21.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 41.6 m 71.79 -61.07 0.5 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.135 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -80.94 46.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.477 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' CD2' ' H ' ' A' ' 6' ' ' LEU . 1.9 pt? -73.54 -0.97 16.75 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.616 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -66.4 -15.29 63.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.938 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -69.66 -50.24 45.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.997 0.427 . . . . 0.0 110.562 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 12' ' ' THR . 8.8 t -80.33 -23.84 40.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.979 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -10.83 54.99 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.08 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 7' ' ' GLY . 78.3 mt -74.99 -2.26 26.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.746 0.273 . . . . 0.0 111.726 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 9' ' ' THR . 72.5 p -68.64 -56.31 8.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.63 -41.52 95.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.135 0.493 . . . . 0.0 110.235 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.0 -36.64 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.035 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -61.25 -48.21 82.5 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.373 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -40.7 93.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.758 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -62.92 -44.14 96.9 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.673 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.79 ' O ' HG23 ' A' ' 22' ' ' VAL . 89.3 tt0 -61.98 -40.53 95.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.1 -36.91 78.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -61.63 -53.0 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.717 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -61.52 -43.27 99.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 18' ' ' GLU . 61.2 t -68.08 -38.45 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.74 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -60.35 -47.71 84.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.27 -47.3 57.81 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.373 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -56.05 -34.39 65.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -127.32 55.65 0.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.451 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.7 pp -46.24 -26.44 0.79 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.896 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.5 p-90 -53.52 -24.83 14.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.341 . . . . 0.0 111.184 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 33' ' ' VAL . 93.5 mt -60.94 -31.71 71.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.825 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.87 -37.9 80.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.147 0.499 . . . . 0.0 110.565 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.9 m -63.3 -40.89 98.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.87 -39.86 79.6 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 122.303 1.049 . . . . 0.0 108.72 178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 29' ' ' LEU . 8.4 t -59.37 -47.33 90.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 113.585 -1.643 . . . . 0.0 110.791 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . -66.37 -48.48 70.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.921 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.2 tt -61.74 -50.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.103 0.478 . . . . 0.0 110.988 -179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 32' ' ' ALA . 93.8 t -58.13 -43.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.854 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.17 -49.11 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.428 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 87.4 m-70 -59.05 -51.22 70.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.095 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.89 HD12 ' N ' ' A' ' 40' ' ' ALA . 4.1 pp -65.35 -36.57 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.89 ' N ' HD12 ' A' ' 39' ' ' LEU . . . -57.28 -48.06 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.093 0.473 . . . . 0.0 110.229 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.647 HG22 ' CZ2' ' A' ' 44' ' ' TRP . 47.8 t -63.61 -40.64 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.5 m-30 -57.92 -29.81 65.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.816 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.4 mm -78.62 -45.12 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.217 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.647 ' CZ2' HG22 ' A' ' 41' ' ' VAL . 1.4 p90 -90.72 -4.94 56.34 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.072 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.565 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -55.06 -50.68 85.1 Favored Pre-proline 0 C--N 1.332 -0.17 0 C-N-CA 121.346 -0.142 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 95.7 Cg_endo -82.14 -1.04 10.59 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.472 2.115 . . . . 0.0 112.496 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -89.3 -41.09 12.37 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.279 0.561 . . . . 0.0 110.929 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.8 m-30 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.774 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.769 0.318 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -60.13 101.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? 60.38 98.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.0 p -158.13 -178.07 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 p30 44.16 28.63 0.28 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.661 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.5 -11.95 61.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.179 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -68.79 -10.51 61.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.934 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -69.62 -43.97 71.64 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.954 0.407 . . . . 0.0 110.713 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 12' ' ' THR . 9.4 t -80.82 -34.7 33.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.45 -7.21 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.993 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 7' ' ' GLY . 74.9 mt -57.4 -33.43 67.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.867 0.333 . . . . 0.0 111.114 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 14.3 t -70.34 -51.45 29.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.381 0.61 . . . . 0.0 110.884 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 12' ' ' THR . 36.8 t70 -64.37 -40.27 95.51 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.295 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -67.76 -43.45 79.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.568 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 12' ' ' THR . 19.5 pt20 -65.47 -48.05 73.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 15' ' ' GLN . . . -60.05 -54.41 46.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 111.376 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.62 -44.33 96.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.397 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.659 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -64.56 -51.17 64.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.54 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' CG ' ' A' ' 23' ' ' TYR . 91.8 mt -69.29 -44.35 71.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.474 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -60.48 -52.99 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.949 0.404 . . . . 0.0 111.12 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 t -61.87 -43.42 98.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.056 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 18' ' ' GLU . 33.0 m -68.75 -39.0 79.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 19' ' ' LEU . 14.4 m-30 -61.82 -47.46 84.98 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.804 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.7 ttp -71.49 -47.46 55.31 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 110.722 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.9 t -56.46 -34.75 67.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.358 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 29' ' ' LEU . . . -134.21 55.54 0.74 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.975 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' TYR . 62.5 tp -68.29 -34.12 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.6 p-90 -77.49 -3.89 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.248 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD1' ' HA3' ' A' ' 26' ' ' GLY . 83.2 mt -67.05 -45.88 76.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.92 -37.98 77.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.504 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -60.15 -40.82 91.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.171 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.668 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -68.47 -40.33 81.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 122.041 0.924 . . . . 0.0 109.092 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.8 t -60.66 -46.43 95.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.977 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.77 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.792 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.558 HG23 ' N ' ' A' ' 36' ' ' VAL . 11.9 tt -65.1 -50.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.796 0.332 . . . . 0.0 111.559 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 32' ' ' ALA . 12.5 p -58.03 -47.88 85.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.981 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.27 -41.99 94.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.624 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -59.35 -45.87 90.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.494 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.4 mt -59.18 -49.09 79.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.725 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.887 ' HB1' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.68 -48.31 77.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 110.586 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 37' ' ' ALA . 51.4 t -63.75 -38.49 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.002 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.88 -30.35 67.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.671 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 47' ' ' TRP . 44.3 mm -77.37 -40.26 28.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.095 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.887 ' CZ3' ' HB1' ' A' ' 40' ' ' ALA . 5.3 m-90 -89.73 -4.69 57.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.934 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.552 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 4.7 tmm_? -66.09 -47.55 61.96 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 55.5 Cg_endo -89.28 -10.75 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.513 2.142 . . . . 0.0 113.319 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 22.2 m95 -94.17 -41.58 9.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.281 0.562 . . . . 0.0 111.04 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.946 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.68 -71.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 3' ' ' LYS . 35.7 ttmt -98.58 153.87 18.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.5 t -158.09 -77.89 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -80.41 -19.56 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.473 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' N ' HD22 ' A' ' 6' ' ' LEU . 2.8 mm? -70.91 -7.69 47.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.711 0.291 . . . . 0.0 110.842 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.43 -37.08 62.73 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.596 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.437 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 7.5 m-85 -71.31 -30.68 66.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.73 0.3 . . . . 0.0 111.348 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 6' ' ' LEU . 9.1 t -84.92 -37.06 21.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.465 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.34 -13.54 58.32 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.636 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.6 pp -90.93 11.43 22.79 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.4 p -69.43 -51.48 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.492 0.187 . . . . 0.0 111.268 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -58.96 -41.97 88.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.09 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.74 -37.88 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.864 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -62.4 -48.24 80.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.63 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.98 37.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.34 -44.19 97.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.269 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.802 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 tm-20 -63.5 -49.89 71.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.198 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.466 HD23 ' OE1' ' A' ' 18' ' ' GLU . 96.5 mt -68.53 -42.08 78.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.127 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -59.02 -52.23 66.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.412 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 18' ' ' GLU . 67.1 t -66.86 -39.14 82.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.282 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.7 m-30 -64.12 -47.38 80.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.377 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.5 tpp -71.12 -48.06 54.41 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.013 0.435 . . . . 0.0 111.104 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 96.3 p -59.54 -34.57 72.83 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.499 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -81.27 -59.05 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.958 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 27' ' ' LEU . 3.3 pp 45.6 21.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -130.35 22.15 5.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.309 . . . . 0.0 110.777 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.886 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.9 tm? -67.05 -28.47 68.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.789 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -58.73 -37.83 77.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.211 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.2 p -59.41 -40.85 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.48 -40.63 80.88 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 122.02 0.914 . . . . 0.0 108.92 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.674 HG23 HD13 ' A' ' 29' ' ' LEU . 10.0 t -59.28 -45.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.933 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.34 -48.36 70.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.919 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 36' ' ' VAL . 11.6 tt -67.21 -50.54 62.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.064 0.459 . . . . 0.0 111.265 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 32' ' ' ALA . 80.2 t -60.64 -52.23 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.03 -40.33 88.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -58.62 -50.42 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.06 -46.37 71.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.977 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -57.6 -48.13 80.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.229 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 37' ' ' ALA . 47.9 t -66.58 -42.37 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.027 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -58.59 -30.83 67.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.362 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 40' ' ' ALA . 39.8 pt -86.91 -27.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.694 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -88.4 -27.13 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.431 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.532 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 59.2 ttp85 -59.37 -50.37 87.72 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.366 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 87.5 Cg_endo -79.72 -8.28 14.63 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.366 2.044 . . . . 0.0 112.817 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -93.96 -41.51 9.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.273 0.559 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.644 -179.859 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.817 0.341 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -110.3 -25.23 10.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HE2' ' CA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -91.98 54.26 2.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.074 0.464 . . . . 0.0 110.117 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t -83.2 -175.51 5.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . 1.5 m-20 51.63 32.89 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' HG22 ' A' ' 9' ' ' THR . 2.0 pt? -70.89 -4.94 27.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.609 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.66 -1.85 32.86 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.385 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 5' ' ' ASP . 8.8 m-30 -67.59 -33.85 75.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.087 0.443 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 6' ' ' LEU . 8.8 t -80.63 -27.98 37.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.96 -8.47 49.17 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.2 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.5 pp -62.15 -15.37 45.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.861 0.331 . . . . 0.0 111.501 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.614 ' N ' HD12 ' A' ' 11' ' ' LEU . 82.6 p -68.5 -56.75 7.32 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.733 0.302 . . . . 0.0 111.053 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -60.12 -41.57 92.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.067 0.461 . . . . 0.0 110.425 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.85 -36.96 85.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.943 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -61.29 -48.06 83.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.568 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.93 92.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.436 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.82 -44.64 95.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.469 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.821 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -64.72 -51.09 64.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.677 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 86.2 mt -67.95 -45.04 75.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.9 -48.64 80.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -61.67 -43.39 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 18' ' ' GLU . 58.9 t -67.72 -38.89 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.011 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 10.9 m-30 -60.91 -47.57 85.78 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.743 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -71.31 -47.38 57.05 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.05 0.452 . . . . 0.0 110.697 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.7 m -56.4 -34.74 67.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.238 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.39 58.06 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.88 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.5 pp -52.36 -25.81 10.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.719 0.295 . . . . 0.0 111.332 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.901 ' N ' HD12 ' A' ' 27' ' ' LEU . 30.1 t90 -70.63 -16.06 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.762 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.3 -25.65 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.49 -37.79 76.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -61.18 -41.49 96.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.74 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.709 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.38 -40.86 81.24 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 122.103 0.954 . . . . 0.0 108.665 178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -59.79 -42.95 90.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 113.824 -1.535 . . . . 0.0 110.745 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.48 -48.35 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.587 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 36' ' ' VAL . 8.8 tp -67.21 -50.23 65.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.975 0.416 . . . . 0.0 110.969 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 32' ' ' ALA . 67.3 t -59.07 -48.79 85.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.653 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.75 90.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.3 t-160 -59.32 -43.92 92.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.578 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.76 -45.46 78.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.16 78.6 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 38' ' ' HIS . 8.6 p -63.39 -38.42 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.215 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.93 -30.85 69.33 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.5 mt -81.48 -24.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.954 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -68.75 -32.91 73.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.775 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.754 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 78.7 ttt180 -65.04 -54.95 30.22 Favored Pre-proline 0 CA--C 1.531 0.225 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 6.4 Cg_exo -74.15 -6.27 18.21 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.445 2.096 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.501 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 3.3 t-105 -90.42 -41.34 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.138 0.494 . . . . 0.0 110.781 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 47' ' ' TRP . 16.9 p90 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.61 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.78 0.324 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -76.91 78.01 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' ' 3' ' ' LYS . 5.3 ptpt -55.96 -53.11 60.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.317 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.0 t 57.65 21.04 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.359 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.68 -2.32 46.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.289 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.5 mp -71.33 -10.01 59.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.626 0.25 . . . . 0.0 111.25 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.03 -19.26 73.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.673 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -71.27 -39.43 71.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 111.033 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 t -80.31 -43.68 20.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.86 26.1 0.64 Allowed Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.185 -0.531 . . . . 0.0 113.979 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.8 pp -90.12 11.47 20.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.496 0.648 . . . . 0.0 111.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -69.84 -51.96 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.28 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -58.77 -41.99 87.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.108 0.48 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -67.6 -37.62 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.808 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -61.77 -48.23 81.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.614 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.06 -54.99 37.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.162 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.16 -39.3 92.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.184 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.627 ' O ' HG13 ' A' ' 22' ' ' VAL . 17.6 tp10 -62.99 -47.81 81.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.291 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 22' ' ' VAL . 90.6 mt -69.14 -39.9 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.246 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.477 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 81.1 t60 -62.3 -53.66 51.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 111.188 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -62.05 -43.76 98.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.653 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 18' ' ' GLU . 27.2 m -69.11 -38.48 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.76 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 48.5 t80 -58.78 -47.84 83.31 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.759 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.477 ' CE ' ' CE1' ' A' ' 20' ' ' HIS . 63.3 mtt -71.5 -47.03 58.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.73 178.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.7 t -56.2 -34.56 66.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.154 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -135.86 59.69 0.65 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.982 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 62.1 tp -51.09 -31.9 20.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -75.25 -6.21 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.287 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.893 HD23 ' O ' ' A' ' 29' ' ' LEU . 6.4 tt -59.09 -26.14 64.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.705 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.62 -37.63 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.979 0.419 . . . . 0.0 110.647 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 t -57.98 -40.64 81.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.19 -42.57 79.73 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.993 0.901 . . . . 0.0 108.582 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.643 HG23 HD23 ' A' ' 29' ' ' LEU . 15.9 t -58.89 -39.41 77.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.482 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.97 76.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.662 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -59.34 -47.71 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 32' ' ' ALA . 54.4 t -57.4 -50.74 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.754 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -61.08 -49.08 78.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.319 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.83 -51.24 70.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -62.58 -39.48 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -46.56 81.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.418 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' ALA . 54.8 t -63.23 -41.36 92.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.016 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.99 -30.72 66.27 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 76.1 mt -81.04 -24.82 10.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.844 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' O ' ' CD1' ' A' ' 44' ' ' TRP . 3.7 t-105 -80.41 -31.49 37.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.675 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.656 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 38.6 mmt180 -53.5 -50.67 81.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 2.7 Cg_exo -76.33 -4.27 14.85 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.445 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 2.2 t-105 -93.46 -40.92 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.237 0.541 . . . . 0.0 110.438 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 47' ' ' TRP . 6.3 p90 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.773 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.855 0.36 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -79.72 149.18 31.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -151.89 151.31 31.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.464 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.1 m -158.17 -67.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' H ' HD22 ' A' ' 6' ' ' LEU . 38.1 t70 -160.54 37.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 6' ' ' LEU . 2.7 mm? -75.53 7.57 3.56 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.997 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.26 -37.17 90.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.904 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 47.0 m-85 -70.09 -38.01 75.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.312 . . . . 0.0 111.003 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -84.96 -28.71 25.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.283 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.01 -15.24 60.18 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.803 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' C ' HD12 ' A' ' 11' ' ' LEU . 1.1 pp -90.89 22.86 3.4 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 9.7 t -69.06 -53.1 22.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.45 0.643 . . . . 0.0 110.72 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' HG23 ' A' ' 12' ' ' THR . 12.2 p-10 -64.76 -38.66 91.75 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.237 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.5 -42.87 86.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.265 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 12' ' ' THR . 17.7 pt20 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.698 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.07 38.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.251 0.548 . . . . 0.0 110.917 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.57 -38.3 89.55 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.993 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.839 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.5 tp10 -62.41 -49.93 73.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 91.3 mt -68.55 -41.07 80.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -59.31 -48.89 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.464 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.82 -43.18 99.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.876 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 18' ' ' GLU . 60.6 t -65.8 -38.83 83.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.168 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 19' ' ' LEU . 9.1 m-30 -65.09 -47.25 77.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.413 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.5 mmt -70.85 -48.16 55.44 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.019 0.438 . . . . 0.0 111.024 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' A' ' 22' ' ' VAL . 89.3 p -59.83 -34.63 73.34 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' O ' ' HG ' ' A' ' 27' ' ' LEU . . . -85.75 -15.97 64.57 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.738 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 27' ' ' LEU . 3.6 pp 43.38 22.77 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CE3' ' HA3' ' A' ' 26' ' ' GLY . 5.3 m-90 -95.93 44.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.93 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.0 mm? -67.18 -37.2 83.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.8 p90 -63.0 -37.59 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -57.4 -40.3 77.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.739 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -68.36 -37.67 80.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.872 0.844 . . . . 0.0 109.122 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.1 t -63.04 -45.98 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.146 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -45.28 79.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.677 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.559 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -66.91 -50.29 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.522 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 32' ' ' ALA . 13.1 p -58.35 -47.16 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 36' ' ' VAL . . . -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -58.92 -42.87 90.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.427 ' O ' HG12 ' A' ' 43' ' ' ILE . 91.9 mt -68.01 -45.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.019 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.58 77.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.913 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.82 -39.54 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.957 0.408 . . . . 0.0 110.406 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.97 -30.44 67.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.641 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.5 mm -81.65 -29.99 10.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.193 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -83.24 -37.64 23.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.806 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.541 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 79.2 ttt180 -50.29 -47.52 82.54 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 5.3 Cg_exo -78.17 -5.37 15.05 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.795 2.33 . . . . 0.0 112.574 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -89.79 -41.36 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.311 0.577 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.0 t80 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.929 179.751 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.772 0.32 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.92 76.07 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.676 ' HD3' HD12 ' A' ' 6' ' ' LEU . 63.1 mmtt 60.49 80.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.394 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.9 m -159.4 133.53 7.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 66.47 11.7 8.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.626 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.676 HD12 ' HD3' ' A' ' 3' ' ' LYS . 81.4 mt -76.46 10.58 2.0 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.777 ' O ' HD23 ' A' ' 11' ' ' LEU . . . -66.34 -24.12 72.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.648 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 5.6 t80 -70.86 -29.55 65.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.795 0.331 . . . . 0.0 110.453 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -80.39 -25.04 39.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.601 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.76 -13.23 65.8 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.358 -0.925 . . . . 0.0 112.014 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 7' ' ' GLY . 2.3 mm? -90.59 62.17 5.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.172 0.51 . . . . 0.0 110.896 -179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.537 ' HA ' ' HG2' ' A' ' 15' ' ' GLN . 37.8 p -66.06 -40.54 91.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.288 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -63.81 -41.17 97.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.447 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.733 ' HG3' HD12 ' A' ' 11' ' ' LEU . 62.9 mm-40 -64.02 -45.8 87.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.54 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 12' ' ' THR . 16.4 pt20 -65.01 -36.35 84.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.196 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.81 91.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.411 0.624 . . . . 0.0 110.227 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -62.69 -38.58 90.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.188 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.2 -38.73 87.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.326 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' O ' HG12 ' A' ' 22' ' ' VAL . 90.2 mt -68.25 -41.45 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.102 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -62.22 -45.4 93.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.542 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.9 p -61.78 -43.63 98.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 19' ' ' LEU . 8.5 p -69.21 -38.58 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.667 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.46 -46.92 85.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 84.3 mtp -70.63 -47.26 60.95 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.462 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.13 33.34 6.33 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.112 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 tp -53.64 -24.62 14.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.544 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -87.73 32.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.518 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.8 tp -67.08 -38.89 86.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.762 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 71.1 t80 -61.8 -37.32 83.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.967 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.7 m -57.42 -40.37 78.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.29 -38.03 81.24 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.92 0.867 . . . . 0.0 108.818 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 30' ' ' PHE . 10.7 t -62.73 -42.94 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.917 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.2 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.427 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 36' ' ' VAL . 24.2 pt -62.7 -46.18 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.189 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 32' ' ' ALA . 67.7 t -59.28 -48.33 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.769 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -59.9 -42.23 93.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -58.96 -52.36 66.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.181 0.515 . . . . 0.0 110.627 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 43' ' ' ILE . 83.9 mt -59.18 -45.06 92.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.689 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -42.84 79.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 37' ' ' ALA . 51.2 t -63.32 -44.82 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.315 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -57.73 -30.42 65.56 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.448 ' O ' ' HD2' ' A' ' 46' ' ' PRO . 74.0 mt -79.8 -25.39 12.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.907 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 47' ' ' TRP . 31.9 t90 -87.77 -5.05 58.83 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.651 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HB2' ' HD3' ' A' ' 46' ' ' PRO . 47.2 mmm-85 -60.01 -47.31 97.34 Favored Pre-proline 0 CA--C 1.53 0.205 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD3' ' HB2' ' A' ' 45' ' ' ARG . 13.8 Cg_exo -69.35 -10.54 29.15 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.52 2.146 . . . . 0.0 112.437 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.443 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . 18.9 m95 -91.21 -41.33 11.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.291 0.567 . . . . 0.0 110.8 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.89 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.875 0.369 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -139.81 -175.53 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -128.15 152.28 48.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.62 ' OG ' HD21 ' A' ' 6' ' ' LEU . 79.5 p -158.5 54.08 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.425 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.8 p30 44.64 50.6 8.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.357 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.62 HD21 ' OG ' ' A' ' 4' ' ' SER . 3.0 mm? -75.79 41.34 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.835 178.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.81 -115.6 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.438 -0.886 . . . . 0.0 111.613 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' OG1' ' A' ' 9' ' ' THR . 48.5 t80 -71.16 -13.87 62.08 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.633 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 8' ' ' TYR . 19.6 p 71.27 -14.51 0.46 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.516 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . -69.74 -18.35 73.99 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.844 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.781 HD12 ' N ' ' A' ' 12' ' ' THR . 2.7 pp -61.44 -19.03 61.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.285 . . . . 0.0 111.409 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.781 ' N ' HD12 ' A' ' 11' ' ' LEU . 40.3 p -70.13 -43.08 71.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.975 0.417 . . . . 0.0 111.702 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.02 -41.67 90.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.98 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' HA ' ' A' ' 11' ' ' LEU . 24.7 pt-20 -67.17 -42.29 84.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.156 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 12' ' ' THR . 18.0 pt20 -64.14 -43.92 93.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.722 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -52.35 65.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.991 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -61.87 -36.12 80.33 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.8 tm-20 -61.79 -49.9 74.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.012 0.434 . . . . 0.0 110.457 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.32 -44.61 78.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.378 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -59.81 -42.03 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.195 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.9 m -61.75 -43.14 99.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.678 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 18' ' ' GLU . 50.0 t -66.33 -38.91 82.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.959 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -61.18 -47.33 86.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.8 ttt -70.98 -47.42 59.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.6 m -56.63 -34.92 67.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.168 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -116.24 41.67 2.07 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.579 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 27' ' ' LEU . 2.1 pt? -58.34 -23.67 57.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.692 0.282 . . . . 0.0 111.197 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.406 ' O ' ' CG ' ' A' ' 28' ' ' TRP . 27.3 t90 -96.58 14.66 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.167 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.25 -32.52 73.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -58.88 -37.88 77.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' ' NE1' ' A' ' 28' ' ' TRP . 55.7 m -61.75 -40.7 96.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.66 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -68.37 -40.32 81.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 122.031 0.92 . . . . 0.0 108.754 178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.4 t -61.47 -42.44 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.829 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.47 -48.25 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.746 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.2 tt -65.74 -50.21 72.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.981 0.42 . . . . 0.0 111.347 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 32' ' ' ALA . 32.6 m -58.89 -46.49 91.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' N ' HG23 ' A' ' 36' ' ' VAL . . . -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.462 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.4 t-160 -58.63 -44.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.732 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' HG12 ' A' ' 43' ' ' ILE . 87.5 mt -66.59 -45.47 79.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.827 ' HB1' ' CZ3' ' A' ' 44' ' ' TRP . . . -56.58 -48.32 77.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 38' ' ' HIS . 9.1 p -63.72 -38.2 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.444 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -59.46 -30.62 68.64 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 39' ' ' LEU . 45.3 mm -77.56 -39.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.018 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.827 ' CZ3' ' HB1' ' A' ' 40' ' ' ALA . 6.2 m-90 -83.25 -14.96 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.623 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 3.0 tpm_? -57.09 -53.15 68.33 Favored Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 121.267 -0.173 . . . . 0.0 110.798 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 89.3 Cg_endo -78.68 -4.22 13.9 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.342 2.028 . . . . 0.0 112.491 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -93.85 -41.38 9.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.269 0.557 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.884 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.77 0.319 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -107.83 -37.87 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -128.32 164.89 21.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 43.8 m 71.64 -60.79 0.51 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.156 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.402 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . 56.2 m-20 -81.12 47.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.716 0.293 . . . . 0.0 111.467 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' CD2' ' H ' ' A' ' 6' ' ' LEU . 2.0 pt? -73.52 -1.33 18.15 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.588 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' HG ' ' A' ' 11' ' ' LEU . . . -66.17 -15.78 63.6 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.914 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 5' ' ' ASP . 51.0 m-85 -69.46 -50.15 48.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 0.0 110.525 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 12' ' ' THR . 8.7 t -80.22 -24.14 40.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.906 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.33 -10.83 54.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.046 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 7' ' ' GLY . 77.2 mt -73.86 -3.6 29.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.829 0.314 . . . . 0.0 111.73 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 9' ' ' THR . 73.9 p -68.56 -56.57 7.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -60.4 -41.47 93.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.452 . . . . 0.0 110.238 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -64.08 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.971 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.16 -48.17 82.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.331 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.02 94.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.724 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -62.59 -44.1 97.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.623 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.787 ' O ' HG23 ' A' ' 22' ' ' VAL . 89.3 tt0 -62.05 -40.82 97.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.719 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.95 -36.84 78.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -61.54 -53.11 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.5 p -61.55 -43.19 99.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 18' ' ' GLU . 60.9 t -67.98 -38.47 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -59.94 -47.57 85.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.6 tpp -70.92 -47.44 59.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.157 0.503 . . . . 0.0 110.416 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.0 t -56.32 -34.84 66.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . . . -126.08 54.3 0.76 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 114.9 -1.046 . . . . 0.0 112.494 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 28' ' ' TRP . 2.6 pp -46.28 -26.43 0.8 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.896 ' N ' HD12 ' A' ' 27' ' ' LEU . 13.0 p-90 -52.9 -25.28 11.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.755 0.312 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 33' ' ' VAL . 93.9 mt -60.31 -30.59 69.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.61 -38.01 80.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.023 0.44 . . . . 0.0 110.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 51.8 m -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.966 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -68.69 -40.0 80.25 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 122.115 0.959 . . . . 0.0 108.808 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 29' ' ' LEU . 18.7 t -59.44 -47.51 90.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.874 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' O ' ' CD2' ' A' ' 38' ' ' HIS . . . -66.45 -48.32 70.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.911 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.55 HG23 ' N ' ' A' ' 36' ' ' VAL . 12.0 tt -61.72 -50.06 81.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.417 . . . . 0.0 111.047 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 32' ' ' ALA . 89.5 t -58.32 -43.58 86.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.9 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -60.05 -49.05 79.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.439 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 87.2 m-70 -59.3 -51.23 70.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.891 HD12 ' N ' ' A' ' 40' ' ' ALA . 4.1 pp -65.42 -36.49 84.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.891 ' N ' HD12 ' A' ' 39' ' ' LEU . . . -57.59 -48.11 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.31 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.612 ' HA ' ' CE2' ' A' ' 44' ' ' TRP . 47.5 t -63.5 -40.87 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.216 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 38' ' ' HIS . 8.3 m-30 -58.15 -30.03 66.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.031 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 39' ' ' LEU . 40.7 mm -78.5 -45.15 26.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.283 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.612 ' CE2' ' HA ' ' A' ' 41' ' ' VAL . 1.4 p90 -90.78 -4.86 56.34 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.089 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.567 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 39.0 ttm180 -54.74 -50.78 83.89 Favored Pre-proline 0 CA--C 1.53 0.189 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.026 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 45' ' ' ARG . 94.1 Cg_endo -81.91 -2.2 11.22 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.433 2.088 . . . . 0.0 112.559 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.427 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.3 t-105 -87.69 -41.03 13.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.216 0.532 . . . . 0.0 110.938 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' TRP . 7.9 m-30 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.727 -179.648 . . . . . . . . 1 1 . 1 stop_ save_