data_2l2d_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 2l2d _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.6 mtt -52.99 -40.3 63.67 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.968 0.907 . . . . 0.0 112.969 -172.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.32 -37.87 74.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.315 0.646 . . . . 0.0 111.36 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.72 76.3 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.214 0.531 . . . . 0.0 111.026 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.49 -35.97 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.414 1.086 . . . . 0.0 110.277 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -65.47 -54.42 28.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.107 0.963 . . . . 0.0 110.463 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -64.22 -43.3 95.4 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.496 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.72 -40.28 88.32 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.702 0.626 . . . . 0.0 110.745 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.94 -53.76 52.89 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.56 -37.18 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.483 1.113 . . . . 0.0 111.614 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -73.39 -33.27 64.92 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.915 1.286 . . . . 0.0 111.344 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.1 t -94.67 -26.27 16.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.791 0.836 . . . . 0.0 111.816 -170.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -110.12 -27.71 9.03 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.09 0.556 . . . . 0.0 111.888 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.12 8.03 82.5 Favored Glycine 0 C--N 1.349 1.25 0 O-C-N 123.192 0.308 . . . . 0.0 113.105 -174.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB3' HD22 ' A' ' 44' ' ' LEU . . . -75.87 163.55 27.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.805 0.842 . . . . 0.0 110.866 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -79.28 156.28 76.37 Favored Pre-proline 0 CA--C 1.56 1.346 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -62.31 -33.0 81.68 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.249 2.633 . . . . 0.0 113.722 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.41 -48.88 60.35 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 40' ' ' ALA . 58.5 tp -61.28 -39.68 91.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.451 1.1 . . . . 0.0 110.411 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.58 -57.19 14.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.459 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -43.89 68.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.895 1.278 . . . . 0.0 111.541 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.24 -48.38 70.72 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 123.901 0.75 . . . . 0.0 111.035 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 83.8 mt -59.58 -47.42 85.64 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 123.538 0.524 . . . . 0.0 109.929 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.67 -42.31 88.17 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.039 0.936 . . . . 0.0 111.747 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.83 -35.34 77.96 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.476 0.58 . . . . 0.0 110.834 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.57 -13.31 83.59 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 115.709 -0.678 . . . . 0.0 113.303 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -108.17 5.43 25.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 117.422 0.611 . . . . 0.0 111.567 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 66.5 23.06 10.54 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.469 1.128 . . . . 0.0 110.554 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 m95 69.68 19.24 7.35 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.244 1.818 . . . . 0.0 111.629 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.55 102.07 2.15 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.3 tp -51.8 -57.79 8.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.252 1.421 . . . . 0.0 112.054 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -63.34 -33.98 76.7 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.576 0.75 . . . . 0.0 111.788 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.11 92.87 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.455 0.702 . . . . 0.0 110.894 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.97 -42.45 76.6 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.523 0.729 . . . . 0.0 110.827 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.0 mt -58.75 -46.5 87.29 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.698 0.799 . . . . 0.0 109.98 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -69.68 -34.22 73.65 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.812 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.82 -51.2 51.32 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.314 0.646 . . . . 0.0 110.602 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.83 -49.82 76.22 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.405 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.766 -177.663 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -56.26 -38.21 70.85 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.51 -38.93 71.09 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.756 0.422 . . . . 0.0 110.244 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.2 71.42 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.979 0.512 . . . . 0.0 110.826 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.23 -34.19 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 124.103 0.961 . . . . 0.0 110.459 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.48 -48.18 65.13 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.17 0.588 . . . . 0.0 109.611 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -60.79 -46.22 91.35 Favored 'General case' 0 C--O 1.248 0.991 0 C-N-CA 123.71 0.804 . . . . 0.0 110.908 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 -53.15 54.27 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.495 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.25 -57.51 10.9 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 124.029 0.831 . . . . 0.0 111.706 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 40' ' ' ALA . 72.4 t -52.08 -44.74 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 124.063 0.852 . . . . 0.0 110.958 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -72.43 -32.8 66.61 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.598 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -87.88 -11.51 47.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.631 0.773 . . . . 0.0 112.757 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.55 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 47.4 p -118.8 -35.42 3.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.37 21.81 53.29 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.503 -169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.416 ' O ' HG11 ' A' ' 35' ' ' VAL . . . -79.94 168.59 19.02 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.571 0.748 . . . . 0.0 110.142 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.61 156.53 36.57 Favored Pre-proline 0 N--CA 1.483 1.189 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -60.87 -29.76 88.75 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.111 2.541 . . . . 0.0 113.684 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.59 -52.99 18.25 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.11 -31.3 72.41 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.771 0.829 . . . . 0.0 110.671 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.97 35.82 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.527 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -41.88 70.23 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.261 0.975 . . . . 0.0 110.824 175.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.9 -58.1 9.87 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.983 0.913 . . . . 0.0 111.235 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.0 mt -63.08 -43.53 98.29 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.041 0.838 . . . . 0.0 110.987 -176.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 mt -59.0 -54.59 45.36 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.688 0.795 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -60.31 -32.7 71.47 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.84 0.456 . . . . 0.0 111.658 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.56 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 113.282 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 70.1 mmtt -109.17 12.47 24.98 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 0.0 111.447 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 68.94 37.74 2.19 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.633 1.173 . . . . 0.0 110.968 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 54.74 16.24 1.34 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.972 1.709 . . . . 0.0 114.025 -170.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.44 104.81 3.91 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.7 tp -50.09 -51.12 45.35 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.794 1.308 . . . . 0.0 111.18 -175.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -58.81 -46.47 87.54 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.285 0.99 . . . . 0.0 112.177 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.86 86.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.514 0.725 . . . . 0.0 111.497 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.84 72.57 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.782 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.8 mt -55.78 -49.18 73.88 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.545 0.738 . . . . 0.0 109.21 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.0 m -62.83 -34.06 76.54 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.447 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.36 -40.97 66.93 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.253 0.621 . . . . 0.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.55 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 47.1 t80 -75.05 -41.17 59.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.927 -176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.192 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mtt -61.94 -25.87 67.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -173.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.47 -43.13 70.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.294 0.638 . . . . 0.0 109.899 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.84 77.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.58 0.752 . . . . 0.0 111.464 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 56' ' ' LEU . 77.9 t -65.56 -43.35 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.005 0.922 . . . . 0.0 110.218 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.72 -45.58 82.16 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.277 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -62.9 -42.37 99.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.943 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.2 -39.27 78.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.941 0.775 . . . . 0.0 110.566 -175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.8 -54.95 41.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.446 0.698 . . . . 0.0 109.622 174.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.86 -29.22 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 124.209 1.004 . . . . 0.0 111.542 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -75.73 -33.24 60.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.588 0.755 . . . . 0.0 110.616 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -83.0 -57.74 3.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.398 0.679 . . . . 0.0 110.62 -176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -84.51 -26.82 27.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.103 0.961 . . . . 0.0 111.919 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.28 19.22 78.61 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.981 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.15 165.69 22.21 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.589 0.756 . . . . 0.0 111.676 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.21 136.76 95.63 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 123.615 0.766 . . . . 0.0 109.867 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.08 -30.98 46.67 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.836 2.357 . . . . 0.0 112.998 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.38 83.46 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.82 -47.36 83.77 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.973 0.909 . . . . 0.0 109.924 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.08 71.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.068 -1.423 . . . . 0.0 110.908 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -56.39 -43.48 79.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.842 1.257 . . . . 0.0 111.488 178.201 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.78 -47.37 85.49 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.211 0.604 . . . . 0.0 110.921 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.46 -36.06 82.78 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.491 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.3 -53.33 45.45 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.804 0.842 . . . . 0.0 110.355 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 54.8 mt-10 -53.31 -44.06 68.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.788 0.835 . . . . 0.0 111.548 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.06 76.14 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.406 -0.816 . . . . 0.0 113.358 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -97.67 12.12 34.74 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.369 0.667 . . . . 0.0 111.902 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 70.41 32.19 2.81 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.74 1.216 . . . . 0.0 111.633 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.7 m95 60.32 21.55 11.05 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.018 1.727 . . . . 0.0 112.86 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.85 99.9 1.83 Allowed 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.548 ' HB2' HG13 ' A' ' 30' ' ' VAL . 55.9 tp -53.48 -52.25 60.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.408 1.068 . . . . 0.0 111.491 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -63.82 -36.8 85.11 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 124.032 0.832 . . . . 0.0 111.979 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.91 73.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.65 0.78 . . . . 0.0 111.271 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -34.73 60.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.833 0.453 . . . . 0.0 111.055 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.54 -46.28 90.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.672 0.789 . . . . 0.0 109.464 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -64.12 -30.98 72.01 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.18 0.925 . . . . 0.0 111.639 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.85 -42.72 57.42 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.642 0.777 . . . . 0.0 110.989 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.07 -45.97 72.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.757 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.12 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -38.81 66.07 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.57 0.748 . . . . 0.0 112.726 -173.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -40.69 83.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.862 0.865 . . . . 0.0 111.023 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.94 -47.95 67.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.684 0.794 . . . . 0.0 111.138 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.61 -37.71 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 123.969 0.907 . . . . 0.0 110.626 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.17 -49.89 68.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.524 0.73 . . . . 0.0 110.545 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.1 t -64.15 -42.26 96.84 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.949 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -75.51 -29.79 59.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.434 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.74 -59.43 5.17 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.37 -32.31 44.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 124.765 1.226 . . . . 0.0 111.509 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -64.39 -43.52 94.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.715 1.206 . . . . 0.0 110.946 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -86.67 -27.55 23.7 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.617 0.767 . . . . 0.0 112.39 -173.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -106.54 -29.59 9.57 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.242 0.617 . . . . 0.0 112.055 -170.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.55 71.75 Favored Glycine 0 C--N 1.344 0.993 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.654 -170.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 164.72 26.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.985 0.914 . . . . 0.0 111.949 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.24 153.89 62.91 Favored Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 170.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -58.44 -38.21 91.26 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.985 2.457 . . . . 0.0 113.18 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.81 -50.71 45.8 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.37 0.418 . . . . 0.0 113.131 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.69 -45.13 86.05 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.168 0.987 . . . . 0.0 110.643 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.33 -57.57 12.07 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.811 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.71 -37.8 82.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.32 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.68 -48.19 81.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.705 0.802 . . . . 0.0 110.819 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.89 -38.11 85.67 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.298 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.52 -47.03 85.69 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.563 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.2 mt-10 -58.84 -35.12 72.41 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.156 0.434 . . . . 0.0 111.779 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.43 73.63 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 115.802 -0.635 . . . . 0.0 113.065 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.9 mmtm -100.11 14.21 31.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.96 34.97 19.23 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.988 0.899 . . . . 0.0 111.435 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.9 m95 58.5 24.18 11.59 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.414 1.886 . . . . 0.0 113.018 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.15 116.92 18.96 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.09 -57.91 9.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.022 1.329 . . . . 0.0 110.584 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 m -53.08 -44.68 67.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.996 1.318 . . . . 0.0 111.971 -173.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.09 -51.38 69.39 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.105 0.962 . . . . 0.0 111.062 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.1 74.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.909 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.65 -46.21 90.75 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.31 0.644 . . . . 0.0 109.578 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -67.7 -31.24 71.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.239 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 37.5 t70 -70.94 -47.42 59.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.584 0.754 . . . . 0.0 110.383 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -55.84 -53.5 56.0 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.696 1.198 . . . . 0.0 111.379 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.468 0.459 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.047 -176.298 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--O 1.235 0.303 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.45 -36.6 44.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.475 0.71 . . . . 0.0 111.817 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.44 -41.36 76.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 0.0 111.484 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.37 72.46 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.949 0.5 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.98 -40.57 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.847 0.859 . . . . 0.0 110.088 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -63.82 -40.9 97.72 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.007 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -65.51 -52.94 49.05 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.328 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.99 -38.54 91.28 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.086 0.866 . . . . 0.0 110.96 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.79 -54.35 47.33 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.206 0.316 . . . . 0.0 110.556 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.74 -36.74 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.019 0.928 . . . . 0.0 111.265 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.66 -33.25 70.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.446 1.498 . . . . 0.0 112.197 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.7 m -87.94 -53.41 4.75 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.087 0.555 . . . . 0.0 111.549 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -83.82 -28.17 28.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.911 0.885 . . . . 0.0 111.882 -172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.55 9.93 80.53 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 116.335 -0.393 . . . . 0.0 113.277 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' HD23 ' A' ' 44' ' ' LEU . . . -74.38 165.97 24.28 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.598 0.759 . . . . 0.0 110.831 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.4 157.64 67.46 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.94 -36.1 95.24 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.146 2.564 . . . . 0.0 113.574 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.9 53.37 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.115 0.259 . . . . 0.0 112.981 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.404 HD23 ' HB3' ' A' ' 40' ' ' ALA . 66.2 tp -64.15 -39.79 94.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.994 0.917 . . . . 0.0 110.301 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.45 47.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.356 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -43.61 81.13 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.214 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.41 -50.33 73.33 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.861 0.726 . . . . 0.0 111.181 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.523 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.9 mt -65.11 -46.54 80.63 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.946 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.77 -30.47 71.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.526 0.73 . . . . 0.0 112.076 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.84 -37.65 88.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.051 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.2 -27.33 64.24 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.67 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.1 mmtt -97.41 6.86 47.58 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 117.759 0.78 . . . . 0.0 111.442 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 62.9 25.56 15.13 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 124.387 1.075 . . . . 0.0 110.311 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 72.9 24.91 2.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.587 1.955 . . . . 0.0 112.092 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.6 107.45 6.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.79 -54.88 32.06 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.621 1.201 . . . . 0.0 111.033 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -62.94 -40.39 97.49 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.962 0.905 . . . . 0.0 112.024 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.76 80.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.265 0.626 . . . . 0.0 111.229 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.41 68.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.155 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.08 -45.55 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.317 0.647 . . . . 0.0 109.819 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.1 m -69.4 -34.29 74.29 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.308 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.43 -49.64 62.83 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.605 0.762 . . . . 0.0 110.542 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -64.48 -44.19 91.79 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.478 0.945 0 C-N-CA 122.291 0.236 . . . . 0.0 110.569 179.588 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -52.79 -42.45 65.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.27 -40.75 81.78 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.147 0.579 . . . . 0.0 111.116 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.89 67.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.32 0.648 . . . . 0.0 111.751 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.8 -35.69 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 124.224 1.01 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.7 -49.79 73.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.671 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -64.12 -38.57 91.54 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.267 -178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.84 -48.63 68.26 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.679 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.63 -53.69 55.47 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.059 0.849 . . . . 0.0 110.741 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.18 -37.13 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.767 0.827 . . . . 0.0 111.694 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -71.1 -39.23 72.23 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.707 0.803 . . . . 0.0 111.181 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.8 m -82.72 -26.19 32.21 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.455 0.702 . . . . 0.0 112.297 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -112.51 -35.03 5.67 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.936 0.494 . . . . 0.0 111.844 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.28 6.57 74.34 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.862 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.88 49.15 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.301 0.641 . . . . 0.0 110.093 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.01 157.29 90.15 Favored Pre-proline 0 CA--C 1.556 1.192 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.53 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.34 -32.4 88.32 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 123.123 2.549 . . . . 0.0 113.557 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.06 -50.35 34.84 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 116.653 -0.249 . . . . 0.0 112.68 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.14 -42.34 98.37 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.934 0.894 . . . . 0.0 110.146 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.81 53.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.925 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.97 -38.58 70.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.234 0.959 . . . . 0.0 111.658 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.86 -49.46 68.06 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.494 0.496 . . . . 0.0 110.36 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 69.2 mt -65.27 -40.39 93.85 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.455 0.472 . . . . 0.0 110.083 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.37 -49.33 72.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.922 0.889 . . . . 0.0 111.489 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.408 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 64.8 mt-10 -64.51 -27.24 68.83 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.386 0.539 . . . . 0.0 111.787 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.52 -22.72 78.82 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.908 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.1 mmtm -107.91 15.99 23.9 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.619 0.768 . . . . 0.0 112.44 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.46 24.57 14.63 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.238 1.015 . . . . 0.0 111.586 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.408 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 91.8 m95 73.98 15.09 3.86 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.59 1.956 . . . . 0.0 113.145 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -70.44 115.27 9.43 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 168.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 tp -54.84 -50.16 69.32 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.932 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -61.23 -47.89 83.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.756 0.823 . . . . 0.0 112.385 -172.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.74 80.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.528 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.31 -37.73 63.52 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.556 0.535 . . . . 0.0 111.535 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -49.45 76.66 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.352 0.661 . . . . 0.0 109.917 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -66.07 -31.32 72.12 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.94 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.493 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 31.8 t70 -67.66 -49.44 62.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.492 0.717 . . . . 0.0 110.621 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -58.87 -44.77 91.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 111.049 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.547 0.837 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -52.84 -41.61 64.41 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.858 0.863 . . . . 0.0 112.463 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.09 -43.55 86.96 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.643 0.589 . . . . 0.0 110.683 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.1 71.32 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.328 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.08 -41.2 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.897 0.879 . . . . 0.0 110.62 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -64.25 -51.7 62.32 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.47 0.708 . . . . 0.0 110.259 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -64.63 -41.09 96.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.888 0.742 . . . . 0.0 111.352 -177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.4 -46.42 80.1 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.835 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.09 -53.62 56.05 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.002 0.814 . . . . 0.0 110.691 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.5 -38.94 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 124.17 0.919 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -74.62 -32.76 62.41 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.133 0.973 . . . . 0.0 111.001 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -83.0 -33.01 26.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.829 0.851 . . . . 0.0 112.402 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -108.53 -25.32 10.98 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.14 14.54 80.35 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 123.44 0.463 . . . . 0.0 113.119 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 44' ' ' LEU . . . -77.48 161.28 28.06 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.264 0.626 . . . . 0.0 110.505 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.03 157.83 75.58 Favored Pre-proline 0 CA--C 1.56 1.337 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.32 -35.03 86.28 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.146 2.564 . . . . 0.0 113.371 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.44 28.29 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.273 0.358 . . . . 0.0 112.747 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD22 ' HB1' ' A' ' 40' ' ' ALA . 51.9 tp -55.15 -45.86 75.68 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.64 1.176 . . . . 0.0 111.087 175.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.88 41.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.844 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 2.3 tmt_? -59.51 -43.22 93.46 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.644 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.79 -48.36 72.8 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.781 0.832 . . . . 0.0 110.928 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 72.7 mt -59.58 -46.88 87.62 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 109.666 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.87 -24.34 66.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.194 0.998 . . . . 0.0 112.528 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 9.4 mm-40 -64.48 -36.0 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.841 0.456 . . . . 0.0 109.871 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.52 -5.33 61.77 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.488 -0.778 . . . . 0.0 113.448 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 71.0 mmtt -107.59 6.14 27.63 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.541 0.736 . . . . 0.0 111.897 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 63.14 22.87 13.63 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.039 0.935 . . . . 0.0 110.75 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 62.28 21.98 12.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.387 1.475 . . . . 0.0 112.422 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.75 108.72 7.68 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 168.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -53.19 -51.46 62.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.55 1.14 . . . . 0.0 111.111 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -61.96 -36.68 82.17 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.214 1.006 . . . . 0.0 111.758 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.18 79.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.391 0.676 . . . . 0.0 110.795 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.95 69.96 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.192 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.98 -44.46 96.68 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.705 0.628 . . . . 0.0 109.872 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.8 t -64.95 -37.38 87.47 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.26 0.975 . . . . 0.0 110.813 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.35 -47.78 72.34 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.591 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -65.79 -48.05 73.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.052 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 122.397 0.279 . . . . 0.0 110.613 -178.21 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -54.09 -37.32 64.12 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.515 0.726 . . . . 0.0 112.367 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.58 -41.13 84.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.226 0.61 . . . . 0.0 110.623 -176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.66 75.63 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.246 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.07 -38.08 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.014 0.926 . . . . 0.0 110.769 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -65.45 -50.7 64.39 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.814 0.845 . . . . 0.0 109.511 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -64.17 -41.56 97.07 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.866 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -46.93 84.87 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.361 0.664 . . . . 0.0 109.288 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.514 ' HA ' HD21 ' A' ' 60' ' ' LEU . 44.7 t80 -56.08 -60.01 4.1 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.999 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.81 -40.08 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 124.321 1.049 . . . . 0.0 111.851 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -70.66 -31.41 68.32 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.763 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.6 p -93.38 -34.88 13.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.42 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 75.1 p -88.92 -33.73 17.18 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.44 0.696 . . . . 0.0 112.0 -172.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.22 9.09 86.48 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.841 -171.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.53 146.42 34.32 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.513 0.725 . . . . 0.0 109.128 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -69.07 156.81 90.8 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -57.0 -31.18 89.24 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 C-N-CA 123.01 2.473 . . . . 0.0 113.51 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.7 79.94 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.107 0.254 . . . . 0.0 113.093 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.65 -39.75 80.54 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.83 0.852 . . . . 0.0 109.893 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.47 67.67 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -58.07 -45.88 86.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.245 0.966 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.12 -49.51 66.38 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.722 0.809 . . . . 0.0 111.376 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 93.8 mt -65.29 -48.2 73.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.211 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.75 -24.36 66.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.848 0.859 . . . . 0.0 112.097 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.64 -40.64 69.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.95 -15.73 80.8 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-N 115.365 -0.834 . . . . 0.0 113.79 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -110.93 12.64 22.19 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 117.505 0.653 . . . . 0.0 111.739 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 64.73 23.0 12.68 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.176 0.99 . . . . 0.0 111.495 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.2 m95 64.83 19.22 11.78 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.626 1.57 . . . . 0.0 112.034 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.76 96.98 2.12 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 tp -49.22 -49.81 41.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 124.867 1.354 . . . . 0.0 111.454 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.4 m -61.19 -41.41 96.77 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.857 0.863 . . . . 0.0 111.66 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.22 91.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.458 0.703 . . . . 0.0 110.955 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -73.61 -42.69 61.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.41 0.684 . . . . 0.0 111.813 -177.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 34' ' ' PHE . 85.1 mt -61.04 -49.07 78.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.735 0.814 . . . . 0.0 110.146 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.2 t -71.2 -26.03 62.77 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.272 0.983 . . . . 0.0 111.101 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.3 -44.11 63.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.42 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 84.1 t80 -63.28 -51.64 65.28 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 124.421 1.076 . . . . 0.0 110.914 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.469 0.506 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.407 -177.496 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -44.64 67.02 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.819 0.848 . . . . 0.0 112.541 -176.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.23 -39.34 92.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.47 0.708 . . . . 0.0 111.013 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.39 -43.62 69.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.2 0.6 . . . . 0.0 111.289 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 56' ' ' LEU . 67.0 t -67.1 -36.56 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.735 0.814 . . . . 0.0 110.131 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.82 -45.09 87.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.811 0.844 . . . . 0.0 109.987 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 t -67.97 -43.18 79.59 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.747 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -38.33 84.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 111.31 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -62.15 -59.3 5.26 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.617 0.573 . . . . 0.0 109.457 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.87 -40.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 124.118 0.967 . . . . 0.0 111.785 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttp-105 -65.93 -43.01 89.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.629 0.772 . . . . 0.0 111.008 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -80.54 -35.97 33.74 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.33 0.652 . . . . 0.0 111.853 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -94.58 -25.56 16.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.762 0.825 . . . . 0.0 111.72 -173.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.03 23.81 75.3 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.081 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.89 173.16 12.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.56 0.744 . . . . 0.0 111.641 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.3 155.85 42.23 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -60.8 -34.94 90.84 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.419 2.746 . . . . 0.0 113.188 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.79 -50.86 33.07 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 123.288 0.367 . . . . 0.0 112.499 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.7 -43.8 93.93 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.221 1.008 . . . . 0.0 110.731 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.96 39.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.247 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -42.72 81.22 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.449 1.1 . . . . 0.0 111.092 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.61 -52.13 66.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.134 0.973 . . . . 0.0 110.864 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 86.5 mt -64.3 -42.83 96.16 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.31 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.85 -48.81 80.05 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.292 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -56.19 -38.85 71.51 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 123.382 0.673 . . . . 0.0 112.285 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.52 -20.67 72.0 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.387 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 65.7 mmtt -106.95 13.75 27.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.907 0.883 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 63.9 37.57 9.45 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.528 1.156 . . . . 0.0 109.817 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 55.6 23.02 5.68 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.99 1.716 . . . . 0.0 113.468 -175.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.91 115.31 17.55 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' HB2' HG11 ' A' ' 30' ' ' VAL . 59.0 tp -55.3 -47.44 75.56 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.38 1.05 . . . . 0.0 111.31 -177.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.6 m -64.37 -46.08 84.93 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.177 0.991 . . . . 0.0 112.077 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.33 72.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.869 0.867 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.77 -38.14 64.77 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.521 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.1 mt -61.33 -46.37 90.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.451 0.7 . . . . 0.0 109.702 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m -62.7 -35.66 80.44 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.4 -37.55 63.35 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.411 0.685 . . . . 0.0 110.817 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -67.44 -49.52 63.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 122.706 0.403 . . . . 0.0 110.57 -179.421 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.461 0.106 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.1 mtt -62.6 -21.98 66.04 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.086 0.954 . . . . 0.0 113.457 -171.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.74 -52.99 20.58 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.13 73.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.638 0.775 . . . . 0.0 112.482 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -73.65 -39.79 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.739 0.816 . . . . 0.0 109.937 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.96 -51.64 63.4 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -50.4 -49.29 54.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.548 1.539 . . . . 0.0 112.223 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.1 -48.6 51.37 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.867 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.59 -50.2 73.91 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.766 0.666 . . . . 0.0 110.751 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.1 -47.13 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.603 0.761 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -73.9 -29.44 62.07 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.066 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -77.5 -54.63 6.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.316 0.646 . . . . 0.0 110.786 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 70.9 p -85.67 -30.17 23.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.53 60.7 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.556 -174.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 144.92 30.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.421 0.688 . . . . 0.0 110.03 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.35 157.85 89.21 Favored Pre-proline 0 N--CA 1.483 1.205 0 CA-C-O 118.478 -0.772 . . . . 0.0 108.964 -175.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -59.63 -32.21 95.58 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 123.2 2.6 . . . . 0.0 113.531 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.48 -52.49 30.33 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.32 -33.69 76.06 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.033 0.933 . . . . 0.0 110.536 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -56.68 9.35 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.699 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.37 -39.42 67.17 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.432 1.083 . . . . 0.0 110.658 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 -49.07 77.34 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.632 0.773 . . . . 0.0 111.402 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.44 -35.29 70.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.125 0.57 . . . . 0.0 110.791 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.9 mt -63.73 -52.25 61.32 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.734 0.814 . . . . 0.0 110.143 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -63.96 -24.19 67.63 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.904 0.481 . . . . 0.0 111.658 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.11 -27.15 74.1 Favored Glycine 0 C--N 1.35 1.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.895 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 46.4 mmtm -105.93 13.63 29.12 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.361 1.064 . . . . 0.0 112.414 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.7 36.38 3.64 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 124.252 1.021 . . . . 0.0 110.318 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.466 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 75.7 m95 60.22 14.59 4.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.231 1.812 . . . . 0.0 113.958 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.96 110.95 6.8 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 tp -52.9 -49.75 65.29 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 m -60.14 -48.6 81.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.161 0.985 . . . . 0.0 111.939 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.1 72.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.79 67.75 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.336 0.398 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.55 -52.82 63.83 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.718 0.807 . . . . 0.0 109.071 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.1 t -56.48 -42.17 77.82 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 124.898 1.374 . . . . 0.0 111.129 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.416 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 16.3 t70 -61.5 -57.55 11.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.477 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 58.6 t80 -61.58 -46.53 89.49 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.753 0.658 . . . . 0.0 110.701 -176.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.473 0.721 0 O-C-N 123.384 0.427 . . . . 0.0 111.291 -175.545 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -53.19 -37.5 62.0 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.262 1.025 . . . . 0.0 112.577 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.55 -44.82 77.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.146 0.579 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.68 82.06 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.455 . . . . 0.0 111.085 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.1 -38.28 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.463 1.105 . . . . 0.0 110.701 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.62 -50.56 62.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.099 0.56 . . . . 0.0 109.573 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -60.7 -41.01 94.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.819 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.89 -45.53 74.18 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.584 0.754 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.32 -55.85 29.66 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.798 0.686 . . . . 0.0 109.937 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.09 -39.26 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.05 0.94 . . . . 0.0 111.473 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -74.13 -33.39 63.53 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.019 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -78.55 -52.82 7.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.478 0.711 . . . . 0.0 110.848 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.4 p -82.53 -35.55 27.16 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.785 0.834 . . . . 0.0 111.277 -172.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.4 5.03 76.26 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.575 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -75.65 161.92 28.69 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.818 0.847 . . . . 0.0 111.079 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.15 157.16 85.43 Favored Pre-proline 0 N--CA 1.487 1.423 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.847 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.01 -29.8 66.43 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 123.003 2.469 . . . . 0.0 113.814 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.66 47.89 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 40' ' ' ALA . 62.2 tp -63.7 -41.12 98.15 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.195 0.998 . . . . 0.0 109.82 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -54.55 45.16 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -39.49 78.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.533 1.133 . . . . 0.0 111.565 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.94 -47.19 86.02 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.679 0.791 . . . . 0.0 110.864 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.9 mt -69.63 -43.05 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.236 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.19 -56.68 17.96 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.879 0.872 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -59.68 -29.97 68.45 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.368 0.667 . . . . 0.0 112.193 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.65 92.3 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.638 172.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -99.81 16.32 24.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.28 1.032 . . . . 0.0 111.965 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t30 63.56 44.18 5.38 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.145 0.978 . . . . 0.0 110.405 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.4 m95 53.22 20.5 1.87 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.966 1.706 . . . . 0.0 114.459 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.39 102.85 3.86 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -49.9 -50.84 44.63 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.778 1.299 . . . . 0.0 111.279 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -63.11 -42.75 99.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.887 0.875 . . . . 0.0 111.732 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.3 74.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.56 0.744 . . . . 0.0 111.513 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.24 -37.85 66.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.475 0.484 . . . . 0.0 111.002 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.69 -47.05 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.481 0.712 . . . . 0.0 109.489 173.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 m -63.27 -34.09 76.91 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.18 -52.15 37.63 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.604 0.762 . . . . 0.0 110.469 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.26 -48.14 81.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.046 0.938 . . . . 0.0 111.114 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.474 0.754 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.61 179.508 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 mtt -54.79 -34.52 62.77 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.897 0.879 . . . . 0.0 112.734 -174.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -65.31 -46.47 80.22 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.822 0.449 . . . . 0.0 110.347 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.92 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.156 0.582 . . . . 0.0 111.673 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.9 -45.35 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.516 0.726 . . . . 0.0 110.465 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.14 -47.82 69.9 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.448 0.699 . . . . 0.0 110.661 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.4 t -62.54 -45.51 92.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.689 0.796 . . . . 0.0 111.544 -177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.46 -46.13 87.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.131 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.38 -57.96 10.6 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.968 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.52 -41.37 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 124.454 1.102 . . . . 0.0 111.452 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -67.01 -39.02 86.98 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.047 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.6 m -87.59 -42.42 12.73 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.085 0.554 . . . . 0.0 112.19 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -87.86 -28.83 21.35 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.613 0.765 . . . . 0.0 111.857 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.04 13.98 76.06 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.938 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.6 154.28 28.84 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.472 0.709 . . . . 0.0 110.548 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.94 159.14 83.61 Favored Pre-proline 0 CA--C 1.557 1.223 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -57.35 -35.05 98.86 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.058 2.505 . . . . 0.0 113.522 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -48.65 26.7 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.403 -0.362 . . . . 0.0 113.022 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.25 -43.15 99.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.931 0.892 . . . . 0.0 110.157 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.91 14.93 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.982 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.96 -42.27 68.74 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.53 177.087 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.34 -48.33 80.27 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 123.892 0.745 . . . . 0.0 111.16 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -66.78 -34.19 77.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.85 0.46 . . . . 0.0 110.207 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -42.46 96.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.519 175.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 55.3 mt-10 -60.56 -33.7 73.08 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 122.649 0.379 . . . . 0.0 111.32 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.88 -23.57 75.81 Favored Glycine 0 C--N 1.349 1.25 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.515 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.599 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 41.1 mmtm -109.24 9.14 25.98 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.512 0.725 . . . . 0.0 112.504 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 58.43 40.19 24.4 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 123.016 1.388 . . . . 0.0 110.239 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.0 m95 60.37 30.85 20.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.931 2.092 . . . . 0.0 113.461 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.46 118.1 19.57 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.21 -58.29 8.93 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.903 . . . . 0.0 110.861 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -62.84 -40.1 96.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.741 0.816 . . . . 0.0 112.316 -171.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.69 83.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.587 0.755 . . . . 0.0 111.237 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.2 63.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.67 -43.18 94.09 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.092 0.557 . . . . 0.0 109.589 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.8 m -70.53 -29.4 65.88 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.326 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.599 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.8 t70 -69.8 -50.26 44.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.624 0.77 . . . . 0.0 110.816 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -61.06 -49.49 77.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 110.926 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.476 0.831 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.798 -179.677 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 30' ' ' VAL . 17.1 t70 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.3 -45.8 72.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.822 0.849 . . . . 0.0 112.415 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.58 -34.2 71.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.527 0.731 . . . . 0.0 110.741 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.57 70.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.171 0.588 . . . . 0.0 111.308 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 26' ' ' ASP . 59.3 t -68.69 -41.02 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.183 0.593 . . . . 0.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.64 -44.46 90.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.063 0.945 . . . . 0.0 110.329 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.1 t -65.83 -47.12 76.07 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.748 0.655 . . . . 0.0 110.352 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.16 -40.83 98.68 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.158 0.911 . . . . 0.0 110.593 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.47 ' HZ ' ' HB2' ' A' ' 63' ' ' TYR . 86.3 t80 -63.19 -51.92 64.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 123.923 0.764 . . . . 0.0 110.693 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 40' ' ' ALA . 71.3 t -64.07 -30.96 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.326 0.65 . . . . 0.0 110.807 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -73.94 -30.02 62.32 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.488 1.115 . . . . 0.0 111.389 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.2 p -91.82 -59.11 2.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.219 0.608 . . . . 0.0 111.176 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -76.73 -26.31 54.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.829 0.851 . . . . 0.0 112.281 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.2 21.74 69.73 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.413 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -70.42 169.9 13.05 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.007 0.923 . . . . 0.0 111.606 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 5.4 pt-20 -85.53 156.31 59.15 Favored Pre-proline 0 CA--C 1.563 1.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 175.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -59.25 -39.8 74.7 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 123.138 2.559 . . . . 0.0 113.683 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.97 -48.7 38.97 Favored Glycine 0 C--N 1.348 1.224 0 O-C-N 123.511 0.507 . . . . 0.0 113.376 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 58.7 tp -58.03 -45.71 86.52 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.121 0.968 . . . . 0.0 110.19 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -55.42 32.93 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.095 0.958 . . . . 0.0 111.636 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.92 -37.35 73.91 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.368 1.067 . . . . 0.0 111.356 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.47 -44.17 97.04 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.875 0.87 . . . . 0.0 110.589 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 14.0 mt -71.01 -39.45 72.38 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.67 -45.75 88.7 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.206 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.42 -25.22 66.65 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.438 0.563 . . . . 0.0 111.089 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.48 3.73 86.29 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-O 119.818 -0.434 . . . . 0.0 113.316 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 40.9 mmtm -132.4 13.02 4.58 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.177 0.991 . . . . 0.0 112.082 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 t30 64.9 24.72 12.74 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 122.262 1.03 . . . . 0.0 110.564 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.5 m95 67.87 24.38 8.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.904 2.082 . . . . 0.0 111.448 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -79.88 112.84 17.56 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.423 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' HB2' HG11 ' A' ' 30' ' ' VAL . 62.3 tp -54.44 -49.67 69.47 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.645 1.216 . . . . 0.0 111.623 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 m -62.22 -40.96 97.86 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.318 1.047 . . . . 0.0 111.709 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HB3' ' HD2' ' A' ' 52' ' ' LYS . . . -74.11 -31.8 62.93 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.341 1.056 . . . . 0.0 110.881 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.6 69.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 94.1 mt -61.04 -45.63 94.0 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.804 0.841 . . . . 0.0 109.281 174.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 m -62.72 -38.63 91.26 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.227 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.666 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.4 t70 -67.8 -42.51 81.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.861 0.864 . . . . 0.0 110.842 -178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.47 ' HB2' ' HZ ' ' A' ' 34' ' ' PHE . 78.7 t80 -65.48 -52.76 50.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.255 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.48 1.052 0 O-C-N 123.768 0.667 . . . . 0.0 110.935 -178.207 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 67.2 mtt -59.21 -42.44 90.98 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.885 0.874 . . . . 0.0 112.271 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.18 -42.97 79.18 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.847 0.459 . . . . 0.0 110.396 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.29 99.19 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.923 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.11 -43.44 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 C-N-CA 123.502 0.721 . . . . 0.0 111.309 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.34 -50.65 70.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.242 0.617 . . . . 0.0 110.423 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -67.37 -40.87 85.76 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.166 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.18 -29.66 61.86 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.013 0.525 . . . . 0.0 110.294 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.81 -53.57 48.78 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.09 -36.23 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.038 0.935 . . . . 0.0 111.22 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -63.34 -35.96 82.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.141 1.377 . . . . 0.0 111.616 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -85.29 -47.91 9.59 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.538 0.735 . . . . 0.0 111.562 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -93.58 -33.92 13.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.87 0.868 . . . . 0.0 112.248 -166.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.72 20.28 64.02 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.503 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.84 157.7 36.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.489 0.716 . . . . 0.0 110.703 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.02 157.07 83.83 Favored Pre-proline 0 CA--C 1.561 1.377 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -57.88 -39.34 87.54 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 123.085 2.524 . . . . 0.0 113.351 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -48.72 67.55 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.829 0.705 . . . . 0.0 112.842 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.92 -42.18 97.46 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.439 1.096 . . . . 0.0 110.739 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -54.79 41.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.054 0.942 . . . . 0.0 110.71 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -39.4 88.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.542 1.137 . . . . 0.0 111.121 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.75 -45.24 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.054 0.941 . . . . 0.0 110.915 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.13 -41.63 85.84 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.001 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.49 -33.5 75.22 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.053 -176.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -66.48 -28.0 68.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.475 0.579 . . . . 0.0 111.017 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.37 -13.87 77.71 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.429 0.456 . . . . 0.0 113.005 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -112.37 6.63 18.85 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.438 0.695 . . . . 0.0 112.374 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t30 64.75 25.93 13.0 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.165 0.986 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 71.08 19.05 5.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.3 119.03 18.85 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.98 -52.35 65.78 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.291 0.994 . . . . 0.0 110.722 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.9 m -61.74 -40.54 95.44 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.339 1.024 . . . . 0.0 111.959 -172.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.58 90.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.833 0.853 . . . . 0.0 110.864 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -37.76 63.42 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.638 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.6 -46.16 91.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.55 0.74 . . . . 0.0 109.726 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 t -64.05 -33.78 76.54 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.961 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -73.1 -40.7 64.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.523 0.729 . . . . 0.0 111.654 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.79 -47.49 74.98 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.679 0.391 . . . . 0.0 110.924 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.548 0.892 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 177.2 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtt -57.53 -33.46 68.11 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.894 0.878 . . . . 0.0 112.054 -173.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.81 -45.67 88.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.393 0.677 . . . . 0.0 110.651 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.49 76.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.277 0.631 . . . . 0.0 111.493 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.92 -34.96 71.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 123.243 0.617 . . . . 0.0 110.28 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.17 -50.73 52.57 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.282 1.033 . . . . 0.0 110.936 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -65.41 -45.98 81.79 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.534 0.734 . . . . 0.0 111.143 -173.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.16 -34.89 78.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.607 0.763 . . . . 0.0 111.579 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.31 -57.4 11.51 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.529 0.332 . . . . 0.0 110.412 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -43.77 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.317 1.047 . . . . 0.0 111.34 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -68.62 -33.15 73.53 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.578 0.751 . . . . 0.0 111.852 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 t -81.02 -50.9 9.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.94 0.496 . . . . 0.0 111.288 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.415 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 68.3 p -85.92 -30.8 22.55 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.774 0.83 . . . . 0.0 112.133 -169.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.34 19.55 62.16 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.539 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.73 159.25 28.04 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.345 0.658 . . . . 0.0 111.15 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -86.58 155.59 56.45 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.49 -41.28 79.51 Favored 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 123.497 2.798 . . . . 0.0 113.767 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.03 -48.34 48.23 Favored Glycine 0 C--N 1.345 1.078 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.774 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 tp -59.85 -45.39 92.58 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.696 0.798 . . . . 0.0 110.417 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.2 -57.87 10.72 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.449 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -39.18 93.99 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.406 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.8 -39.58 93.82 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.354 0.662 . . . . 0.0 110.827 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.7 mt -66.61 -47.19 73.47 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.237 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.0 -42.41 85.1 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.119 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.01 -39.83 87.17 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.866 0.303 . . . . 0.0 111.087 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.59 -21.08 79.81 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.336 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HG3' ' HA ' ' A' ' 59' ' ' ALA . 11.1 mmpt? -100.35 18.04 19.93 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.1 t30 63.22 22.34 13.3 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.413 1.085 . . . . 0.0 111.286 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.6 m95 56.02 28.57 12.98 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.466 1.906 . . . . 0.0 112.481 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.22 115.26 23.66 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 65.3 tp -54.79 -50.52 68.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.246 1.018 . . . . 0.0 111.482 -176.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.9 m -62.66 -36.77 83.93 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.534 0.733 . . . . 0.0 111.518 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.44 92.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.546 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.544 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -71.89 -37.78 70.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.575 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 91.8 mt -61.17 -47.5 85.89 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.27 0.628 . . . . 0.0 109.369 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 t -64.19 -42.05 96.82 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.808 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 24.9 t70 -71.82 -44.89 63.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.856 0.463 . . . . 0.0 110.711 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 80.1 t80 -59.62 -52.07 67.1 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.793 0.683 . . . . 0.0 110.285 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.35 0.625 0 O-C-N 123.697 0.623 . . . . 0.0 110.205 -175.419 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.466 0.366 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.9 mtt -52.96 -35.37 58.8 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.128 0.971 . . . . 0.0 113.26 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.09 -45.2 67.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.179 0.591 . . . . 0.0 110.188 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.64 82.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.259 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -70.98 -37.92 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.471 1.108 . . . . 0.0 110.597 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.3 -49.97 69.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.229 0.612 . . . . 0.0 110.074 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.8 t -67.14 -38.49 85.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.112 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.71 -40.57 66.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.37 0.668 . . . . 0.0 110.078 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.47 -54.21 49.4 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.585 0.553 . . . . 0.0 109.557 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.65 -37.0 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.451 1.1 . . . . 0.0 111.545 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -74.17 -34.71 63.88 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.943 0.897 . . . . 0.0 111.588 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 m -87.0 -37.66 17.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.173 0.589 . . . . 0.0 111.785 -175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 p -96.15 -28.75 14.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.706 0.802 . . . . 0.0 111.558 -172.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 7.31 87.97 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.518 -173.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -74.87 154.02 38.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 109.94 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.19 158.79 81.46 Favored Pre-proline 0 CA--C 1.554 1.101 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.73 -30.3 84.74 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.987 2.458 . . . . 0.0 113.394 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -47.96 31.36 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.597 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 40' ' ' ALA . 48.0 tp -62.46 -43.01 99.85 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.861 0.864 . . . . 0.0 110.093 176.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.85 16.95 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.311 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -55.64 -40.83 72.71 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.601 1.16 . . . . 0.0 111.227 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.35 -48.95 78.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.462 0.705 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 55.6 mt -69.39 -39.5 77.94 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.693 0.62 . . . . 0.0 110.216 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.15 -51.16 70.21 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.003 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -58.8 -34.54 71.6 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.107 0.563 . . . . 0.0 111.603 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.81 -22.74 78.26 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.617 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.644 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 44.6 mmtm -107.54 19.61 19.98 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.862 0.865 . . . . 0.0 112.734 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.75 31.74 14.07 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 122.714 1.245 . . . . 0.0 110.095 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 60.8 m95 57.32 18.3 4.25 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 126.498 1.919 . . . . 0.0 113.756 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.83 112.31 12.09 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.5 -46.21 69.95 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.379 1.049 . . . . 0.0 111.377 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -62.21 -44.78 95.81 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.148 0.979 . . . . 0.0 111.875 -171.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.62 68.16 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.132 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.78 -35.15 64.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.294 0.638 . . . . 0.0 111.507 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.61 0.764 . . . . 0.0 109.689 175.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 t -73.55 -28.49 61.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.644 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 36.2 t70 -68.62 -46.52 69.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.404 0.682 . . . . 0.0 109.859 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.4 -51.22 70.29 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.067 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 N--CA 1.491 1.622 0 C-N-CA 122.753 0.421 . . . . 0.0 110.619 -177.347 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -55.83 -41.47 74.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.843 0.857 . . . . 0.0 112.653 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.78 -40.42 91.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.86 0.864 . . . . 0.0 111.25 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.22 71.31 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.971 0.508 . . . . 0.0 110.872 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 56' ' ' LEU . 71.5 t -65.16 -33.91 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.474 1.11 . . . . 0.0 111.123 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -60.71 -46.79 89.06 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.759 173.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -65.86 -40.28 91.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.016 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.0 -47.16 86.98 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.531 0.733 . . . . 0.0 110.346 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.94 -59.18 5.79 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.644 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.1 t -55.8 -37.08 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.962 0.905 . . . . 0.0 111.837 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.67 -30.61 65.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.894 0.877 . . . . 0.0 111.253 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 m -89.64 -34.5 16.27 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.401 0.68 . . . . 0.0 112.225 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -102.7 -26.42 13.18 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.537 0.735 . . . . 0.0 112.308 -168.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.09 78.73 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.891 -173.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.51 162.55 28.7 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.486 0.714 . . . . 0.0 111.068 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.66 158.22 78.72 Favored Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -54.89 -38.7 92.56 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 123.156 2.571 . . . . 0.0 113.463 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.14 -50.51 45.3 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.122 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.64 -37.74 85.13 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.702 0.801 . . . . 0.0 110.239 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -55.94 27.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.928 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -37.91 81.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.231 1.012 . . . . 0.0 111.587 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.3 -50.57 69.53 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.459 0.704 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 87.5 mt -67.97 -40.75 83.11 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.627 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.98 -56.18 24.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.308 0.643 . . . . 0.0 110.965 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -60.97 -31.63 71.2 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.343 0.657 . . . . 0.0 112.085 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.83 -26.61 71.29 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.735 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 69.0 mmtt -109.18 21.08 17.59 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.526 0.73 . . . . 0.0 112.121 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 67.75 33.97 4.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.13 0.967 . . . . 0.0 110.512 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 60.81 12.2 3.65 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 125.948 1.699 . . . . 0.0 114.147 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.29 104.56 2.27 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' HG11 ' A' ' 30' ' ' VAL . 68.0 tp -49.44 -53.85 20.72 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.82 1.325 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -59.33 -42.35 91.28 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.189 0.995 . . . . 0.0 112.118 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.61 78.21 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.258 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.02 -40.14 68.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.789 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.1 mt -58.61 -45.54 88.94 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.623 0.769 . . . . 0.0 110.511 175.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -65.96 -36.9 84.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.375 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.76 -38.61 83.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.666 0.786 . . . . 0.0 110.555 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.96 -45.24 74.77 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.061 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.479 0.984 0 C-N-CA 122.198 0.199 . . . . 0.0 110.561 179.396 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.3 mtt -60.49 -28.02 68.03 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.39 -40.0 70.83 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.969 0.508 . . . . 0.0 109.659 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.17 -41.84 73.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.258 0.623 . . . . 0.0 110.59 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.96 -38.3 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.354 0.662 . . . . 0.0 110.838 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.1 tp -69.56 -50.82 41.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.886 0.474 . . . . 0.0 110.161 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -48.34 72.95 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.732 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.63 -31.07 68.96 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.542 0.737 . . . . 0.0 112.016 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -60.9 -56.14 24.73 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.01 -38.74 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.374 1.07 . . . . 0.0 111.874 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.58 -30.29 61.65 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.664 0.785 . . . . 0.0 111.498 -176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.4 t -89.99 -36.83 14.73 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.798 0.439 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 81.2 p -96.01 -34.09 11.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.354 0.662 . . . . 0.0 111.887 -171.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.1 20.8 60.14 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.596 -172.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.65 149.86 27.14 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.361 0.664 . . . . 0.0 110.338 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.77 158.46 84.71 Favored Pre-proline 0 CA--C 1.557 1.245 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -56.97 -36.81 99.4 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 123.383 2.722 . . . . 0.0 113.856 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -48.18 53.36 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.194 0.309 . . . . 0.0 112.942 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.31 -42.01 97.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.788 0.835 . . . . 0.0 110.202 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.33 -56.9 13.95 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.196 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -41.95 71.02 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.411 1.084 . . . . 0.0 111.681 178.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.6 -49.75 72.11 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.74 0.65 . . . . 0.0 111.041 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.2 mt -59.9 -50.19 74.75 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.681 0.613 . . . . 0.0 109.775 177.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -55.41 -54.02 49.03 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.066 0.854 . . . . 0.0 111.839 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 34.6 mt-10 -57.13 -33.95 67.89 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.667 0.387 . . . . 0.0 111.944 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.88 -27.78 71.71 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.739 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mmtt -100.95 14.59 31.4 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.315 0.646 . . . . 0.0 111.457 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 68.15 24.09 7.76 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.967 1.307 . . . . 0.0 112.305 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.404 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 82.7 m95 69.22 14.93 8.63 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 126.405 1.882 . . . . 0.0 112.747 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.19 107.76 3.35 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.0 tp -52.58 -56.93 11.87 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 110.668 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.6 m -60.97 -36.52 79.65 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.096 0.959 . . . . 0.0 112.423 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.61 90.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.081 0.552 . . . . 0.0 110.975 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.49 70.38 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.7 mt -60.7 -47.64 85.37 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.193 0.597 . . . . 0.0 109.528 176.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.5 t -69.8 -31.43 69.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.669 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.24 -47.47 61.21 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.85 0.46 . . . . 0.0 110.179 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 81.7 t80 -57.22 -49.1 77.05 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.178 0.991 . . . . 0.0 111.075 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -179.845 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.3 mtt -53.53 -41.64 66.61 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.886 0.875 . . . . 0.0 112.271 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.64 -48.61 74.21 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.115 0.566 . . . . 0.0 110.249 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.16 82.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.235 0.614 . . . . 0.0 111.689 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.1 t -73.85 -47.16 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.964 0.905 . . . . 0.0 110.842 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.34 -44.97 86.04 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.387 0.675 . . . . 0.0 110.553 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -67.42 -41.29 85.07 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.341 0.656 . . . . 0.0 111.05 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.74 -46.11 86.81 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.642 0.589 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -59.48 -60.03 4.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.302 1.001 . . . . 0.0 110.466 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.0 t -57.28 -45.07 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.623 0.769 . . . . 0.0 111.499 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -70.18 -38.35 75.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.395 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.1 t -78.5 -54.97 5.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.073 0.549 . . . . 0.0 110.677 -176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.7 p -75.74 -21.8 57.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.475 0.71 . . . . 0.0 111.805 -173.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.05 29.27 62.95 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.032 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.04 176.4 9.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.632 0.773 . . . . 0.0 111.059 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -96.73 158.92 32.79 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -58.08 -38.06 93.2 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.129 2.552 . . . . 0.0 112.655 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.39 -50.45 55.64 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.773 0.671 . . . . 0.0 113.506 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.11 -48.68 80.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.704 0.802 . . . . 0.0 110.477 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.1 -57.41 12.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.545 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -59.62 -38.86 82.46 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.36 1.064 . . . . 0.0 111.402 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.78 -41.08 92.45 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.269 0.628 . . . . 0.0 111.03 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.22 -42.58 88.51 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.652 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.89 -45.87 91.88 Favored 'General case' 0 C--O 1.212 -0.912 0 O-C-N 124.031 0.832 . . . . 0.0 111.334 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.8 mt-10 -58.48 -39.19 79.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.781 0.432 . . . . 0.0 110.945 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 -20.32 79.9 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.565 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -108.24 17.74 21.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.449 0.7 . . . . 0.0 112.418 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t30 62.11 25.85 15.51 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.509 1.147 . . . . 0.0 111.111 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.8 m95 64.51 18.75 11.53 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.27 1.828 . . . . 0.0 112.326 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -75.72 105.6 6.84 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.7 -55.77 10.44 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.981 1.426 . . . . 0.0 111.811 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.7 m -58.35 -39.41 79.43 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.992 0.917 . . . . 0.0 112.513 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.3 -38.1 78.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.835 0.854 . . . . 0.0 111.001 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.89 -37.36 67.32 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.09 -46.43 87.44 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.594 0.758 . . . . 0.0 109.431 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -63.68 -33.63 76.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.773 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.8 -37.91 62.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.505 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 66.8 t80 -64.5 -51.99 60.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.312 0.645 . . . . 0.0 110.893 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 123.22 0.608 . . . . 0.0 110.717 178.423 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.03 -32.23 65.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.072 0.949 . . . . 0.0 112.283 -174.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.95 -46.96 69.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.177 0.591 . . . . 0.0 110.219 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.13 86.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.701 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 HG13 ' HB2' ' A' ' 56' ' ' LEU . 91.8 t -67.64 -36.62 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.388 1.075 . . . . 0.0 110.81 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.34 0.656 . . . . 0.0 109.908 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -64.31 -39.71 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.471 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.1 -46.11 78.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.502 0.721 . . . . 0.0 110.388 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -58.69 -53.5 57.7 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.9 -39.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 124.207 1.003 . . . . 0.0 111.829 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -67.43 -36.65 81.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.581 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -82.9 -45.16 14.54 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.749 0.82 . . . . 0.0 111.795 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.421 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.6 p -95.04 -27.17 15.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.821 0.848 . . . . 0.0 111.648 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.77 6.05 89.34 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.932 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB1' ' CE1' ' A' ' 63' ' ' TYR . . . -72.36 148.53 45.2 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 155.63 88.94 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -55.77 -32.9 86.18 Favored 'Trans proline' 0 N--CA 1.506 2.26 0 C-N-CA 123.428 2.752 . . . . 0.0 113.616 -178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -49.64 55.3 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.504 -0.317 . . . . 0.0 112.463 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.94 -40.38 94.94 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.813 0.845 . . . . 0.0 110.014 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.4 65.23 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.974 1.31 . . . . 0.0 111.071 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.44 83.91 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.591 1.157 . . . . 0.0 111.034 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.13 -44.59 97.1 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.301 0.64 . . . . 0.0 111.048 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 73.4 mt -70.86 -40.47 72.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.6 mt -67.21 -50.91 59.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.93 0.892 . . . . 0.0 111.411 -175.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.481 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 44.6 mt-10 -57.03 -36.54 70.59 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.801 0.841 . . . . 0.0 111.95 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.15 -20.17 74.66 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.327 -0.852 . . . . 0.0 113.442 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 36.5 mmtm -105.89 15.74 26.18 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.881 0.872 . . . . 0.0 111.502 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.7 t30 62.81 39.51 10.7 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.542 1.163 . . . . 0.0 110.033 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.481 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 79.0 m95 55.72 25.9 8.8 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.447 1.899 . . . . 0.0 113.901 -174.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.78 109.35 9.3 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' HB2' HG13 ' A' ' 30' ' ' VAL . 60.3 tp -52.41 -52.02 56.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.457 ' HA ' HD11 ' A' ' 60' ' ' LEU . 5.5 m -64.24 -34.5 78.26 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.432 1.093 . . . . 0.0 112.458 -172.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.15 -33.11 50.48 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.733 0.813 . . . . 0.0 111.187 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -35.19 64.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.514 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 57' ' ' THR . 95.2 mt -60.11 -45.1 94.1 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.993 0.917 . . . . 0.0 109.792 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.2 t -64.48 -38.08 89.77 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.787 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -68.3 -42.26 79.73 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.334 0.654 . . . . 0.0 111.133 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.421 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 69.2 t80 -67.99 -45.83 73.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.649 0.779 . . . . 0.0 111.627 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.324 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.83 138.58 44.35 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.579 0.751 . . . . 0.0 109.806 177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 61.26 15.49 6.47 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 124.679 1.192 . . . . 0.0 112.466 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -69.12 -34.51 75.17 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.929 0.891 . . . . 0.0 110.744 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -85.99 -70.51 0.59 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.087 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -150.6 -62.87 0.2 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.101 0.56 . . . . 0.0 110.41 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.39 91.89 0.06 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.636 1.174 . . . . 0.0 109.905 -170.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.76 94.89 0.63 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.635 0.774 . . . . 0.0 109.367 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.9 mt -115.42 174.48 5.98 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.018 0.927 . . . . 0.0 110.615 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.6 t60 72.32 4.43 5.0 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.013 1.325 . . . . 0.0 112.841 171.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -103.79 124.04 39.14 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.743 0.817 . . . . 0.0 110.245 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -64.5 -45.28 9.43 Favored 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.011 2.474 . . . . 0.0 113.028 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.1 ttt -174.67 -55.52 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.512 1.125 . . . . 0.0 108.191 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 t -148.88 -52.77 0.17 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.342 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 tt -175.57 128.11 0.25 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.092 0.957 . . . . 0.0 109.235 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -126.22 112.45 15.77 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 170.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.6 mtt -52.99 -40.3 63.67 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.968 0.907 . . . . 0.0 112.969 -172.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.32 -37.87 74.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.315 0.646 . . . . 0.0 111.36 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.72 76.3 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.214 0.531 . . . . 0.0 111.026 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.49 -35.97 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.414 1.086 . . . . 0.0 110.277 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -65.47 -54.42 28.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.107 0.963 . . . . 0.0 110.463 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -64.22 -43.3 95.4 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.496 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.72 -40.28 88.32 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.702 0.626 . . . . 0.0 110.745 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.94 -53.76 52.89 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.56 -37.18 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.483 1.113 . . . . 0.0 111.614 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -73.39 -33.27 64.92 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.915 1.286 . . . . 0.0 111.344 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.1 t -94.67 -26.27 16.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.791 0.836 . . . . 0.0 111.816 -170.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -110.12 -27.71 9.03 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.09 0.556 . . . . 0.0 111.888 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.12 8.03 82.5 Favored Glycine 0 C--N 1.349 1.25 0 O-C-N 123.192 0.308 . . . . 0.0 113.105 -174.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB3' HD22 ' A' ' 44' ' ' LEU . . . -75.87 163.55 27.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.805 0.842 . . . . 0.0 110.866 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -79.28 156.28 76.37 Favored Pre-proline 0 CA--C 1.56 1.346 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -62.31 -33.0 81.68 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.249 2.633 . . . . 0.0 113.722 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.41 -48.88 60.35 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 40' ' ' ALA . 58.5 tp -61.28 -39.68 91.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.451 1.1 . . . . 0.0 110.411 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.58 -57.19 14.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.459 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -43.89 68.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.895 1.278 . . . . 0.0 111.541 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.24 -48.38 70.72 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 123.901 0.75 . . . . 0.0 111.035 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 83.8 mt -59.58 -47.42 85.64 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 123.538 0.524 . . . . 0.0 109.929 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.67 -42.31 88.17 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.039 0.936 . . . . 0.0 111.747 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.83 -35.34 77.96 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.476 0.58 . . . . 0.0 110.834 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.57 -13.31 83.59 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 115.709 -0.678 . . . . 0.0 113.303 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -108.17 5.43 25.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 117.422 0.611 . . . . 0.0 111.567 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 66.5 23.06 10.54 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.469 1.128 . . . . 0.0 110.554 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 m95 69.68 19.24 7.35 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.244 1.818 . . . . 0.0 111.629 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.55 102.07 2.15 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.3 tp -51.8 -57.79 8.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.252 1.421 . . . . 0.0 112.054 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -63.34 -33.98 76.7 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.576 0.75 . . . . 0.0 111.788 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.11 92.87 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.455 0.702 . . . . 0.0 110.894 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.97 -42.45 76.6 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.523 0.729 . . . . 0.0 110.827 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.0 mt -58.75 -46.5 87.29 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.698 0.799 . . . . 0.0 109.98 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -69.68 -34.22 73.65 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.812 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.82 -51.2 51.32 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.314 0.646 . . . . 0.0 110.602 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.83 -49.82 76.22 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.405 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.7 pt-20 -67.65 -27.8 67.17 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.766 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.01 -50.06 67.77 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.334 0.654 . . . . 0.0 111.238 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.86 -13.78 62.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.774 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -87.87 -23.9 23.83 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.343 0.657 . . . . 0.0 112.586 171.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 25.0 mm-40 -71.1 -60.29 2.31 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 118.091 0.405 . . . . 0.0 110.793 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.5 t 60.02 82.6 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 124.353 1.061 . . . . 0.0 110.082 -175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -84.88 86.87 7.32 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 122.039 -0.413 . . . . 0.0 111.43 -172.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.6 m 56.51 34.93 25.19 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 122.703 1.24 . . . . 0.0 110.82 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.91 -32.11 16.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.154 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -88.44 -53.04 4.86 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.832 0.453 . . . . 0.0 110.329 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -90.55 143.03 28.57 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 122.979 0.512 . . . . 0.0 110.278 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -52.6 -49.15 18.46 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 123.706 2.937 . . . . 0.0 114.288 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -148.51 98.47 2.89 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.429 0.633 . . . . 0.0 110.739 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.63 103.3 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -137.26 92.46 2.71 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.957 0.503 . . . . 0.0 110.103 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -90.25 172.57 8.68 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -65.79 89.12 0.11 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.08 167.55 12.36 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.717 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -112.38 135.74 52.7 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.749 0.82 . . . . 0.0 110.153 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.71 -1.05 . . . . 0.0 112.849 175.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.58 19.88 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 58.37 94.31 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.263 1.425 . . . . 0.0 110.143 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.9 m -71.93 76.25 0.9 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.743 0.782 . . . . 0.0 111.871 -175.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.609 ' HZ3' ' HD2' ' A' ' 36' ' ' ARG . 51.0 m95 -109.02 59.42 0.6 Allowed 'General case' 0 C--O 1.241 0.647 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 172.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.02 -46.88 84.57 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.159 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.65 88.49 0.07 Allowed 'General case' 0 C--N 1.354 0.777 0 O-C-N 124.893 1.371 . . . . 0.0 111.651 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -124.89 152.87 43.49 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.526 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.8 tp -85.77 41.53 0.91 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.784 0.834 . . . . 0.0 110.45 -174.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -172.64 -103.09 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.895 0.878 . . . . 0.0 109.141 173.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.8 161.94 0.58 Allowed Pre-proline 0 N--CA 1.493 1.686 0 C-N-CA 124.687 1.195 . . . . 0.0 108.116 -177.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -54.68 -60.54 0.56 Allowed 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 123.382 2.721 . . . . 0.0 114.558 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.2 mtp -119.14 -62.3 1.53 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.223 0.609 . . . . 0.0 112.208 -167.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 t -153.92 -35.78 0.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.953 0.901 . . . . 0.0 110.003 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.9 tt -171.0 137.84 1.23 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -127.93 110.91 13.0 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -56.26 -38.21 70.85 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.51 -38.93 71.09 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.756 0.422 . . . . 0.0 110.244 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.2 71.42 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.979 0.512 . . . . 0.0 110.826 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.23 -34.19 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 124.103 0.961 . . . . 0.0 110.459 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.48 -48.18 65.13 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.17 0.588 . . . . 0.0 109.611 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -60.79 -46.22 91.35 Favored 'General case' 0 C--O 1.248 0.991 0 C-N-CA 123.71 0.804 . . . . 0.0 110.908 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 -53.15 54.27 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.495 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.25 -57.51 10.9 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 124.029 0.831 . . . . 0.0 111.706 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 40' ' ' ALA . 72.4 t -52.08 -44.74 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 124.063 0.852 . . . . 0.0 110.958 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.609 ' HD2' ' HZ3' ' A' ' 15' ' ' TRP . 71.9 ttt180 -72.43 -32.8 66.61 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.598 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -87.88 -11.51 47.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.631 0.773 . . . . 0.0 112.757 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.55 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 47.4 p -118.8 -35.42 3.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.37 21.81 53.29 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.503 -169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.416 ' O ' HG11 ' A' ' 35' ' ' VAL . . . -79.94 168.59 19.02 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.571 0.748 . . . . 0.0 110.142 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.61 156.53 36.57 Favored Pre-proline 0 N--CA 1.483 1.189 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -60.87 -29.76 88.75 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.111 2.541 . . . . 0.0 113.684 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.59 -52.99 18.25 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.11 -31.3 72.41 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.771 0.829 . . . . 0.0 110.671 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.97 35.82 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.527 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -41.88 70.23 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.261 0.975 . . . . 0.0 110.824 175.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.9 -58.1 9.87 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.983 0.913 . . . . 0.0 111.235 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.0 mt -63.08 -43.53 98.29 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.041 0.838 . . . . 0.0 110.987 -176.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 mt -59.0 -54.59 45.36 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.688 0.795 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -60.31 -32.7 71.47 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.84 0.456 . . . . 0.0 111.658 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.56 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 113.282 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 70.1 mmtt -109.17 12.47 24.98 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 0.0 111.447 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 68.94 37.74 2.19 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.633 1.173 . . . . 0.0 110.968 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 54.74 16.24 1.34 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.972 1.709 . . . . 0.0 114.025 -170.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.44 104.81 3.91 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.7 tp -50.09 -51.12 45.35 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.794 1.308 . . . . 0.0 111.18 -175.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -58.81 -46.47 87.54 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.285 0.99 . . . . 0.0 112.177 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.86 86.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.514 0.725 . . . . 0.0 111.497 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.84 72.57 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.782 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.8 mt -55.78 -49.18 73.88 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.545 0.738 . . . . 0.0 109.21 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.0 m -62.83 -34.06 76.54 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.447 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.36 -40.97 66.93 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.253 0.621 . . . . 0.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.55 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 47.1 t80 -75.05 -41.17 59.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.927 -176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.59 -24.74 65.53 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -49.72 64.97 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.37 -11.73 60.58 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.477 0.311 . . . . 0.0 111.71 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 7.6 mmp_? -78.53 -41.26 32.73 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.704 0.401 . . . . 0.0 110.733 171.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -78.93 -28.14 43.78 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.061 0.544 . . . . 0.0 110.957 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 t 45.95 72.68 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.628 1.571 . . . . 0.0 110.524 -170.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -61.33 -31.09 70.95 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.961 0.904 . . . . 0.0 111.658 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -75.12 -6.26 48.6 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.927 0.891 . . . . 0.0 112.515 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.95 151.78 23.47 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.991 0.516 . . . . 0.0 111.148 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -113.85 92.33 3.94 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.86 141.07 33.25 Favored Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 171.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -48.01 -41.64 32.9 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 123.059 2.506 . . . . 0.0 111.828 165.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -72.67 97.26 2.14 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 170.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.86 96.16 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.774 0.829 . . . . 0.0 110.531 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -82.77 64.53 7.45 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.404 1.081 . . . . 0.0 110.372 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 62.98 93.18 0.06 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.907 1.283 . . . . 0.0 110.975 -173.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.6 113.62 3.09 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.225 0.61 . . . . 0.0 110.418 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -155.23 154.33 25.44 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.679 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -161.72 15.78 0.1 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.645 1.178 . . . . 0.0 109.877 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.223 0 CA-C-O 118.771 -1.016 . . . . 0.0 112.825 -179.587 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.6 -73.67 0.25 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.344 0.658 . . . . 0.0 109.41 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 54.58 15.87 1.18 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.235 1.414 . . . . 0.0 114.178 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -141.74 127.8 19.58 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.286 0.635 . . . . 0.0 109.413 -175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.603 ' HB3' HD11 ' A' ' 18' ' ' LEU . 88.4 m95 -134.2 71.45 1.45 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.557 0.694 . . . . 0.0 109.888 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.5 -6.35 58.03 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.555 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.9 -23.71 63.28 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.81 0.844 . . . . 0.0 112.121 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 15' ' ' TRP . 7.5 mp -83.4 176.77 8.84 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.054 0.941 . . . . 0.0 110.863 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.9 159.75 34.09 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.346 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.52 -28.79 19.4 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.052 0.541 . . . . 0.0 110.954 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.36 127.44 18.83 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -58.89 -21.76 59.25 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.728 2.952 . . . . 0.0 115.671 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 ttt -153.14 -80.17 0.1 Allowed 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 118.271 0.487 . . . . 0.0 111.955 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 t -143.51 -37.3 0.35 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.569 0.748 . . . . 0.0 110.2 -172.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -166.09 102.37 0.64 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.343 1.057 . . . . 0.0 108.474 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -107.24 102.47 11.77 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mtt -61.94 -25.87 67.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -173.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.47 -43.13 70.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.294 0.638 . . . . 0.0 109.899 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.84 77.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.58 0.752 . . . . 0.0 111.464 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 56' ' ' LEU . 77.9 t -65.56 -43.35 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.005 0.922 . . . . 0.0 110.218 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.72 -45.58 82.16 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.277 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -62.9 -42.37 99.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.943 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.2 -39.27 78.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.941 0.775 . . . . 0.0 110.566 -175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.8 -54.95 41.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.446 0.698 . . . . 0.0 109.622 174.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.86 -29.22 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 124.209 1.004 . . . . 0.0 111.542 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -75.73 -33.24 60.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.588 0.755 . . . . 0.0 110.616 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -83.0 -57.74 3.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.398 0.679 . . . . 0.0 110.62 -176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -84.51 -26.82 27.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.103 0.961 . . . . 0.0 111.919 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.28 19.22 78.61 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.981 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.15 165.69 22.21 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.589 0.756 . . . . 0.0 111.676 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.21 136.76 95.63 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 123.615 0.766 . . . . 0.0 109.867 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.08 -30.98 46.67 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.836 2.357 . . . . 0.0 112.998 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.38 83.46 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.82 -47.36 83.77 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.973 0.909 . . . . 0.0 109.924 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.08 71.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.068 -1.423 . . . . 0.0 110.908 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -56.39 -43.48 79.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.842 1.257 . . . . 0.0 111.488 178.201 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.78 -47.37 85.49 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.211 0.604 . . . . 0.0 110.921 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.46 -36.06 82.78 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.491 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.3 -53.33 45.45 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.804 0.842 . . . . 0.0 110.355 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 54.8 mt-10 -53.31 -44.06 68.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.788 0.835 . . . . 0.0 111.548 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.06 76.14 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.406 -0.816 . . . . 0.0 113.358 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -97.67 12.12 34.74 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.369 0.667 . . . . 0.0 111.902 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 70.41 32.19 2.81 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.74 1.216 . . . . 0.0 111.633 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.7 m95 60.32 21.55 11.05 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.018 1.727 . . . . 0.0 112.86 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.85 99.9 1.83 Allowed 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.548 ' HB2' HG13 ' A' ' 30' ' ' VAL . 55.9 tp -53.48 -52.25 60.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.408 1.068 . . . . 0.0 111.491 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -63.82 -36.8 85.11 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 124.032 0.832 . . . . 0.0 111.979 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.91 73.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.65 0.78 . . . . 0.0 111.271 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -34.73 60.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.833 0.453 . . . . 0.0 111.055 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.54 -46.28 90.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.672 0.789 . . . . 0.0 109.464 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -64.12 -30.98 72.01 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.18 0.925 . . . . 0.0 111.639 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.85 -42.72 57.42 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.642 0.777 . . . . 0.0 110.989 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.07 -45.97 72.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.757 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 12.3 pt-20 -69.33 -24.94 63.99 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -61.66 -53.28 58.27 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.315 1.046 . . . . 0.0 110.909 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 HD13 ' HG2' ' A' ' 67' ' ' ARG . 4.6 pp -73.79 -20.12 60.57 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.808 0.443 . . . . 0.0 111.512 -178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HG2' HD13 ' A' ' 66' ' ' LEU . 3.6 mmp_? -88.58 -17.4 30.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.529 0.731 . . . . 0.0 112.0 173.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 6.8 tp-100 -70.33 -50.59 37.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.303 0.641 . . . . 0.0 110.027 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.9 t 55.39 85.77 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.86 1.264 . . . . 0.0 111.408 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -120.46 -59.52 1.76 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.719 0.808 . . . . 0.0 110.645 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 t -75.43 -23.13 56.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.842 0.353 . . . . 0.0 110.187 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.68 4.19 53.31 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.296 1.038 . . . . 0.0 111.394 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -94.77 149.52 21.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.144 0.578 . . . . 0.0 110.913 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.12 154.74 60.57 Favored Pre-proline 0 CA--C 1.559 1.298 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.592 172.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.57 80.19 0.33 Allowed 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.946 2.431 . . . . 0.0 112.336 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -146.46 94.58 2.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.372 1.069 . . . . 0.0 108.96 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.47 135.05 29.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 170.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -81.73 74.7 8.7 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.412 0.685 . . . . 0.0 109.759 -173.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -95.35 102.78 14.61 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.45 1.1 . . . . 0.0 108.217 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -75.89 115.59 15.75 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.269 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.17 79.27 0.77 Allowed Glycine 0 C--N 1.344 0.981 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 170.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.3 mtp-105 68.09 98.1 0.06 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.291 1.436 . . . . 0.0 110.69 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 CA-C-O 119.026 -0.874 . . . . 0.0 112.588 -179.401 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 121.148 0.499 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.51 -7.48 20.84 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.907 0.883 . . . . 0.0 109.715 165.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -52.63 -62.65 1.51 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.578 1.551 . . . . 0.0 111.477 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.64 110.34 22.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.23 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -64.74 90.51 0.08 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.56 0.695 . . . . 0.0 109.619 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.83 -41.37 0.01 OUTLIER 'General case' 0 C--O 1.238 0.471 0 CA-C-N 114.051 -1.432 . . . . 0.0 107.521 -175.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.98 154.95 17.77 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.227 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp 71.24 162.59 0.25 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.066 1.346 . . . . 0.0 110.21 -165.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.84 104.85 0.59 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.769 0.828 . . . . 0.0 110.833 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -138.51 87.57 2.24 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.924 0.89 . . . . 0.0 110.441 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 15.8 m-20 68.84 172.51 0.1 OUTLIER Pre-proline 0 N--CA 1.493 1.724 0 C-N-CA 124.154 0.982 . . . . 0.0 111.318 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 21' ' ' ASP . 30.2 Cg_endo -61.39 -18.9 61.85 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 122.273 1.982 . . . . 0.0 112.603 172.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 63.3 mtt -106.04 67.28 0.74 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.001 0.92 . . . . 0.0 109.169 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 t -78.51 -27.79 46.16 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.779 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 54' ' ' TRP . 6.4 tt -77.06 133.08 39.18 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 172.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -127.54 113.85 16.66 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -38.81 66.07 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.57 0.748 . . . . 0.0 112.726 -173.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -40.69 83.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.862 0.865 . . . . 0.0 111.023 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.94 -47.95 67.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.684 0.794 . . . . 0.0 111.138 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.61 -37.71 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 123.969 0.907 . . . . 0.0 110.626 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.17 -49.89 68.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.524 0.73 . . . . 0.0 110.545 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.1 t -64.15 -42.26 96.84 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.949 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -75.51 -29.79 59.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.434 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.74 -59.43 5.17 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.37 -32.31 44.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 124.765 1.226 . . . . 0.0 111.509 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -64.39 -43.52 94.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.715 1.206 . . . . 0.0 110.946 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -86.67 -27.55 23.7 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.617 0.767 . . . . 0.0 112.39 -173.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -106.54 -29.59 9.57 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.242 0.617 . . . . 0.0 112.055 -170.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.55 71.75 Favored Glycine 0 C--N 1.344 0.993 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.654 -170.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 164.72 26.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.985 0.914 . . . . 0.0 111.949 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.24 153.89 62.91 Favored Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 170.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -58.44 -38.21 91.26 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.985 2.457 . . . . 0.0 113.18 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.81 -50.71 45.8 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.37 0.418 . . . . 0.0 113.131 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.69 -45.13 86.05 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.168 0.987 . . . . 0.0 110.643 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.33 -57.57 12.07 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.811 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.71 -37.8 82.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.32 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.68 -48.19 81.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.705 0.802 . . . . 0.0 110.819 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.89 -38.11 85.67 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.298 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.52 -47.03 85.69 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.563 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.2 mt-10 -58.84 -35.12 72.41 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.156 0.434 . . . . 0.0 111.779 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.43 73.63 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 115.802 -0.635 . . . . 0.0 113.065 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.9 mmtm -100.11 14.21 31.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.96 34.97 19.23 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.988 0.899 . . . . 0.0 111.435 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.416 ' HB3' HD22 ' A' ' 25' ' ' LEU . 83.9 m95 58.5 24.18 11.59 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.414 1.886 . . . . 0.0 113.018 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.15 116.92 18.96 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.09 -57.91 9.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.022 1.329 . . . . 0.0 110.584 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 m -53.08 -44.68 67.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.996 1.318 . . . . 0.0 111.971 -173.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.09 -51.38 69.39 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.105 0.962 . . . . 0.0 111.062 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.1 74.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.909 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.65 -46.21 90.75 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.31 0.644 . . . . 0.0 109.578 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -67.7 -31.24 71.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.239 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 37.5 t70 -70.94 -47.42 59.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.584 0.754 . . . . 0.0 110.383 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -55.84 -53.5 56.0 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.696 1.198 . . . . 0.0 111.379 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.58 -32.1 72.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.047 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.24 -44.73 71.38 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.692 0.397 . . . . 0.0 110.958 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.94 -23.96 59.59 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.743 0.417 . . . . 0.0 111.566 -175.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -87.73 -30.05 20.61 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -71.53 -67.67 0.51 Allowed 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t 46.42 102.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.352 1.461 . . . . 0.0 110.835 -169.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -41.59 -37.08 1.05 Allowed 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.714 1.606 . . . . 0.0 114.599 -165.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 t -143.22 -45.23 0.29 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.03 0.532 . . . . 0.0 111.325 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.56 -172.25 0.12 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.328 1.051 . . . . 0.0 111.923 -171.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -104.75 -21.37 13.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.04 0.536 . . . . 0.0 109.795 169.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.39 137.93 91.38 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 123.73 0.812 . . . . 0.0 109.752 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.27 121.35 9.53 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.4 2.734 . . . . 0.0 113.851 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -119.59 167.38 12.06 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.616 1.166 . . . . 0.0 109.843 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.5 m -70.61 139.73 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.971 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.47 -49.14 62.0 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.322 0.649 . . . . 0.0 110.029 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -75.93 102.76 5.7 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.621 173.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -53.75 132.71 41.68 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.178 0.991 . . . . 0.0 111.318 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.34 168.46 41.47 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.408 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.3 ptt85 -162.95 -30.45 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.779 0.831 . . . . 0.0 110.503 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 CA-C-O 119.158 -0.801 . . . . 0.0 111.419 -176.672 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.84 -175.01 2.59 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.052 0.941 . . . . 0.0 110.572 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 62.71 93.0 0.05 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.998 1.319 . . . . 0.0 112.005 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.2 m -91.5 14.61 14.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.774 0.83 . . . . 0.0 111.522 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -84.33 104.57 14.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.636 0.774 . . . . 0.0 110.146 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.4 92.08 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.44 0.638 . . . . 0.0 109.494 170.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.94 97.44 2.07 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.233 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tt -99.97 117.98 35.4 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 167.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.2 tp -127.87 -14.44 5.05 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.487 0.715 . . . . 0.0 109.95 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -135.87 142.78 44.78 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -75.19 168.72 25.01 Favored Pre-proline 0 CA--C 1.564 1.491 0 C-N-CA 123.692 0.797 . . . . 0.0 111.339 -173.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -52.44 -26.03 26.83 Favored 'Trans proline' 0 C--N 1.385 2.481 0 C-N-CA 123.314 2.676 . . . . 0.0 116.217 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.7 mtm -132.82 -87.35 0.44 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 118.929 0.786 . . . . 0.0 112.042 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.1 m -141.61 -40.38 0.38 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.704 0.802 . . . . 0.0 110.307 -169.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.1 tp -155.7 103.28 2.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.978 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -97.04 96.0 8.18 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.45 -36.6 44.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.475 0.71 . . . . 0.0 111.817 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.44 -41.36 76.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 0.0 111.484 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.37 72.46 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.949 0.5 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.98 -40.57 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.847 0.859 . . . . 0.0 110.088 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -63.82 -40.9 97.72 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.007 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -65.51 -52.94 49.05 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.328 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.99 -38.54 91.28 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.086 0.866 . . . . 0.0 110.96 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.79 -54.35 47.33 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.206 0.316 . . . . 0.0 110.556 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.74 -36.74 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.019 0.928 . . . . 0.0 111.265 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.66 -33.25 70.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.446 1.498 . . . . 0.0 112.197 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.7 m -87.94 -53.41 4.75 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.087 0.555 . . . . 0.0 111.549 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -83.82 -28.17 28.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.911 0.885 . . . . 0.0 111.882 -172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.55 9.93 80.53 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 116.335 -0.393 . . . . 0.0 113.277 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' HD23 ' A' ' 44' ' ' LEU . . . -74.38 165.97 24.28 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.598 0.759 . . . . 0.0 110.831 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.4 157.64 67.46 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.94 -36.1 95.24 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.146 2.564 . . . . 0.0 113.574 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.9 53.37 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.115 0.259 . . . . 0.0 112.981 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.404 HD23 ' HB3' ' A' ' 40' ' ' ALA . 66.2 tp -64.15 -39.79 94.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.994 0.917 . . . . 0.0 110.301 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.45 47.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.356 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -43.61 81.13 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.214 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.41 -50.33 73.33 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.861 0.726 . . . . 0.0 111.181 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.9 mt -65.11 -46.54 80.63 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.946 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.77 -30.47 71.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.526 0.73 . . . . 0.0 112.076 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.84 -37.65 88.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.051 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.2 -27.33 64.24 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.67 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.1 mmtt -97.41 6.86 47.58 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 117.759 0.78 . . . . 0.0 111.442 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 62.9 25.56 15.13 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 124.387 1.075 . . . . 0.0 110.311 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 72.9 24.91 2.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.587 1.955 . . . . 0.0 112.092 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.6 107.45 6.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.79 -54.88 32.06 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.621 1.201 . . . . 0.0 111.033 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -62.94 -40.39 97.49 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.962 0.905 . . . . 0.0 112.024 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.76 80.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.265 0.626 . . . . 0.0 111.229 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.41 68.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.155 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.08 -45.55 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.317 0.647 . . . . 0.0 109.819 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.1 m -69.4 -34.29 74.29 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.308 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.43 -49.64 62.83 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.605 0.762 . . . . 0.0 110.542 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -64.48 -44.19 91.79 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.81 -24.88 64.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.291 0.236 . . . . 0.0 110.569 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -72.93 -47.47 45.3 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.972 0.509 . . . . 0.0 110.812 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 pp -72.41 -16.95 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.416 0.287 . . . . 0.0 111.162 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -86.16 -28.08 24.17 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.199 0.599 . . . . 0.0 111.313 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.44 -62.39 1.88 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.547 0.739 . . . . 0.0 110.658 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 72' ' ' ALA . 24.4 t 51.59 89.9 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.858 1.263 . . . . 0.0 112.489 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -64.96 -21.99 66.93 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.662 0.785 . . . . 0.0 111.518 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.2 m -71.24 -33.08 69.5 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.054 0.942 . . . . 0.0 111.291 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.528 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -73.94 -68.68 0.49 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.179 0.592 . . . . 0.0 110.031 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -171.96 139.15 1.1 Allowed 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.07 0.948 . . . . 0.0 108.464 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.68 151.98 93.52 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 123.483 0.713 . . . . 0.0 109.752 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.61 140.98 24.42 Favored 'Trans proline' 0 C--N 1.369 1.624 0 C-N-CA 121.909 1.739 . . . . 0.0 111.566 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -81.66 65.15 6.67 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.964 0.888 . . . . 0.0 108.804 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.7 t -135.1 128.21 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -69.17 -52.58 26.53 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.461 0.704 . . . . 0.0 109.849 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 56.65 67.74 0.95 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.006 0.923 . . . . 0.0 110.307 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -89.49 107.95 19.37 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.149 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 161.32 -64.62 0.27 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -84.27 107.77 16.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.42 0.688 . . . . 0.0 109.292 174.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.636 -1.091 . . . . 0.0 110.784 177.873 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.9 134.65 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.88 1.272 . . . . 0.0 111.281 -171.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.9 107.58 5.36 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.299 0.64 . . . . 0.0 109.882 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -56.87 -33.32 66.74 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.438 1.095 . . . . 0.0 112.415 -173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -72.51 -71.72 0.28 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.53 0.732 . . . . 0.0 109.867 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.42 -68.37 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.818 1.247 . . . . 0.0 108.726 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.79 104.76 1.37 Allowed 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -82.62 168.94 16.81 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.063 0.545 . . . . 0.0 110.152 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -135.36 0.21 2.76 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.581 0.752 . . . . 0.0 110.807 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 69.02 109.45 0.05 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.959 1.303 . . . . 0.0 110.363 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 79.29 154.59 0.13 Allowed Pre-proline 0 N--CA 1.491 1.587 0 C-N-CA 125.634 1.574 . . . . 0.0 112.636 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.12 -38.19 92.51 Favored 'Trans proline' 0 C--N 1.391 2.813 0 C-N-CA 123.181 2.587 . . . . 0.0 111.841 171.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.9 ttt 55.79 30.18 15.27 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.061 1.344 . . . . 0.0 111.766 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 t -65.77 -33.96 77.07 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.931 0.492 . . . . 0.0 110.305 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.18 130.96 13.2 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 174.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -146.39 124.34 12.03 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -52.79 -42.45 65.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.27 -40.75 81.78 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.147 0.579 . . . . 0.0 111.116 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.89 67.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.32 0.648 . . . . 0.0 111.751 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.8 -35.69 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 124.224 1.01 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.7 -49.79 73.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.671 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -64.12 -38.57 91.54 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.267 -178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.84 -48.63 68.26 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.679 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.63 -53.69 55.47 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.059 0.849 . . . . 0.0 110.741 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.18 -37.13 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.767 0.827 . . . . 0.0 111.694 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -71.1 -39.23 72.23 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.707 0.803 . . . . 0.0 111.181 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.8 m -82.72 -26.19 32.21 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.455 0.702 . . . . 0.0 112.297 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -112.51 -35.03 5.67 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.936 0.494 . . . . 0.0 111.844 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.28 6.57 74.34 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.862 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.88 49.15 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.301 0.641 . . . . 0.0 110.093 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.01 157.29 90.15 Favored Pre-proline 0 CA--C 1.556 1.192 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.53 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.34 -32.4 88.32 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 123.123 2.549 . . . . 0.0 113.557 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.06 -50.35 34.84 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 116.653 -0.249 . . . . 0.0 112.68 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.14 -42.34 98.37 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.934 0.894 . . . . 0.0 110.146 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.81 53.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.925 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.97 -38.58 70.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.234 0.959 . . . . 0.0 111.658 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.86 -49.46 68.06 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.494 0.496 . . . . 0.0 110.36 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 69.2 mt -65.27 -40.39 93.85 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.455 0.472 . . . . 0.0 110.083 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.37 -49.33 72.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.922 0.889 . . . . 0.0 111.489 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 64.8 mt-10 -64.51 -27.24 68.83 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.386 0.539 . . . . 0.0 111.787 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.52 -22.72 78.82 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.908 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.1 mmtm -107.91 15.99 23.9 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.619 0.768 . . . . 0.0 112.44 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.46 24.57 14.63 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.238 1.015 . . . . 0.0 111.586 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.408 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 91.8 m95 73.98 15.09 3.86 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.59 1.956 . . . . 0.0 113.145 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -70.44 115.27 9.43 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 168.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 tp -54.84 -50.16 69.32 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.932 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -61.23 -47.89 83.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.756 0.823 . . . . 0.0 112.385 -172.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.74 80.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.528 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.31 -37.73 63.52 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.556 0.535 . . . . 0.0 111.535 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -49.45 76.66 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.352 0.661 . . . . 0.0 109.917 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -66.07 -31.32 72.12 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.94 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.493 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 31.8 t70 -67.66 -49.44 62.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.492 0.717 . . . . 0.0 110.621 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -58.87 -44.77 91.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 111.049 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.37 -21.55 58.22 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -41.24 60.92 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.702 0.801 . . . . 0.0 110.965 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.92 -27.96 57.84 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 120.738 0.304 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -89.47 -3.81 58.22 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.356 0.662 . . . . 0.0 112.624 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -67.72 -53.24 29.13 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.024 0.529 . . . . 0.0 109.97 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.591 HG13 ' H ' ' A' ' 71' ' ' THR . 10.8 t 62.56 173.58 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.57 1.739 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.209 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.12 -22.92 11.2 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.221 -0.925 . . . . 0.0 110.643 172.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.591 ' H ' HG13 ' A' ' 69' ' ' VAL . 6.0 m -115.37 10.99 15.97 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 123.367 0.667 . . . . 0.0 111.505 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.63 84.76 2.0 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.731 -0.605 . . . . 0.0 111.338 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -174.03 145.09 1.05 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.158 0.983 . . . . 0.0 110.163 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.61 118.17 67.89 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -65.82 -45.51 6.25 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.496 2.131 . . . . 0.0 110.68 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -83.28 107.98 16.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.724 171.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 p -144.05 103.22 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 123.609 0.764 . . . . 0.0 109.624 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.3 t80 57.54 79.67 0.19 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.501 1.12 . . . . 0.0 111.838 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -84.74 124.62 31.74 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.17 -81.38 0.07 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 122.665 0.386 . . . . 0.0 110.662 -175.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.72 0.83 20.72 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 119.576 -0.569 . . . . 0.0 114.121 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 58.07 22.75 9.3 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.911 1.284 . . . . 0.0 111.657 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.353 0 CA-C-O 118.77 -1.017 . . . . 0.0 113.113 -171.852 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.22 170.64 0.21 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.841 1.256 . . . . 0.0 112.275 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -81.09 -57.63 3.43 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.728 -175.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -146.45 140.28 26.15 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.22 0.608 . . . . 0.0 110.452 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -112.27 147.58 35.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.941 0.896 . . . . 0.0 109.171 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.95 -32.87 61.83 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.874 0.47 . . . . 0.0 110.52 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.21 20.97 10.33 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.48 1.112 . . . . 0.0 112.862 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.8 mt -84.39 159.73 20.77 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.328 0.651 . . . . 0.0 110.641 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 mp 69.1 13.08 8.68 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.936 1.295 . . . . 0.0 111.182 -170.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -112.58 -20.53 11.68 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.928 0.891 . . . . 0.0 109.604 173.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -90.11 150.14 42.81 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 124.845 1.258 . . . . 0.0 110.353 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.43 -31.03 18.29 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.061 2.507 . . . . 0.0 113.733 -176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 45.7 ttm -146.81 -58.21 0.28 Allowed 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.758 0.789 . . . . 0.0 108.923 -173.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 t -158.28 -41.95 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.205 -1.361 . . . . 0.0 107.867 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 tt -172.92 145.95 1.48 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -145.42 112.2 5.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -52.84 -41.61 64.41 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.858 0.863 . . . . 0.0 112.463 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.09 -43.55 86.96 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.643 0.589 . . . . 0.0 110.683 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.1 71.32 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.328 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.08 -41.2 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.897 0.879 . . . . 0.0 110.62 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -64.25 -51.7 62.32 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.47 0.708 . . . . 0.0 110.259 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -64.63 -41.09 96.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.888 0.742 . . . . 0.0 111.352 -177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.4 -46.42 80.1 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.835 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.09 -53.62 56.05 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.002 0.814 . . . . 0.0 110.691 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.5 -38.94 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 124.17 0.919 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -74.62 -32.76 62.41 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.133 0.973 . . . . 0.0 111.001 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -83.0 -33.01 26.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.829 0.851 . . . . 0.0 112.402 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -108.53 -25.32 10.98 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.14 14.54 80.35 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 123.44 0.463 . . . . 0.0 113.119 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 44' ' ' LEU . . . -77.48 161.28 28.06 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.264 0.626 . . . . 0.0 110.505 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.03 157.83 75.58 Favored Pre-proline 0 CA--C 1.56 1.337 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.32 -35.03 86.28 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.146 2.564 . . . . 0.0 113.371 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.44 28.29 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.273 0.358 . . . . 0.0 112.747 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD22 ' HB1' ' A' ' 40' ' ' ALA . 51.9 tp -55.15 -45.86 75.68 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.64 1.176 . . . . 0.0 111.087 175.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.88 41.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.844 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 2.3 tmt_? -59.51 -43.22 93.46 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.644 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.79 -48.36 72.8 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.781 0.832 . . . . 0.0 110.928 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 72.7 mt -59.58 -46.88 87.62 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 109.666 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.87 -24.34 66.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.194 0.998 . . . . 0.0 112.528 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 9.4 mm-40 -64.48 -36.0 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.841 0.456 . . . . 0.0 109.871 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.52 -5.33 61.77 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.488 -0.778 . . . . 0.0 113.448 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 71.0 mmtt -107.59 6.14 27.63 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.541 0.736 . . . . 0.0 111.897 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 63.14 22.87 13.63 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.039 0.935 . . . . 0.0 110.75 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 62.28 21.98 12.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.387 1.475 . . . . 0.0 112.422 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.75 108.72 7.68 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 168.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -53.19 -51.46 62.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.55 1.14 . . . . 0.0 111.111 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -61.96 -36.68 82.17 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.214 1.006 . . . . 0.0 111.758 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.18 79.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.391 0.676 . . . . 0.0 110.795 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.95 69.96 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.192 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.98 -44.46 96.68 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.705 0.628 . . . . 0.0 109.872 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.8 t -64.95 -37.38 87.47 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.26 0.975 . . . . 0.0 110.813 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.35 -47.78 72.34 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.591 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -65.79 -48.05 73.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.052 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.04 -25.94 68.04 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.397 0.279 . . . . 0.0 110.613 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.45 -50.16 54.55 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.44 0.696 . . . . 0.0 110.966 173.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.75 -29.52 61.17 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -13.38 43.35 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.815 0.446 . . . . 0.0 110.289 -177.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.48 -50.88 71.82 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.233 0.613 . . . . 0.0 109.921 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t 55.24 96.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.272 1.429 . . . . 0.0 110.978 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -64.96 -21.53 66.85 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.101 0.56 . . . . 0.0 112.058 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.8 m -77.01 -35.03 57.4 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.674 0.79 . . . . 0.0 111.004 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.48 -156.7 0.72 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.256 1.022 . . . . 0.0 109.559 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -160.2 125.67 4.01 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.182 0.515 . . . . 0.0 109.658 170.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.07 114.26 63.29 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.2 83.25 0.15 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.373 2.716 . . . . 0.0 112.632 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -138.21 103.3 4.89 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t 60.56 93.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.758 1.223 . . . . 0.0 109.486 -169.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.84 -40.55 91.85 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.973 0.909 . . . . 0.0 110.517 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -162.96 147.03 11.24 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.436 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -143.13 -176.96 5.12 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.701 0.8 . . . . 0.0 109.597 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.64 -161.74 33.9 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 57.81 62.4 2.1 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.902 1.281 . . . . 0.0 109.375 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.463 179.288 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.44 -177.64 6.37 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.961 0.904 . . . . 0.0 110.313 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.14 151.39 47.07 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.922 0.489 . . . . 0.0 110.168 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' H ' ' HG2' ' A' ' 64' ' ' GLU . 62.8 m -118.17 84.46 2.18 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.089 0.556 . . . . 0.0 111.0 -171.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -78.01 100.93 6.67 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 171.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.692 ' HB3' HG23 ' A' ' 57' ' ' THR . . . -76.02 -44.51 39.02 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.298 174.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.63 29.24 18.87 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.565 1.166 . . . . 0.0 111.652 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt 62.8 101.52 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.795 1.238 . . . . 0.0 111.312 -174.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -69.68 -51.4 34.93 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 170.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 59.91 92.48 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.545 1.138 . . . . 0.0 110.852 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.04 123.66 78.78 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.224 0.609 . . . . 0.0 109.817 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.91 -27.79 85.7 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 123.304 2.669 . . . . 0.0 113.742 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 59.6 mtm -81.04 -68.64 0.67 Allowed 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -165.92 -59.65 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.774 1.23 . . . . 0.0 107.933 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.6 tp -176.86 157.71 1.52 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.248 1.419 . . . . 0.0 108.122 -176.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -151.24 104.28 3.09 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 172.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -54.09 -37.32 64.12 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.515 0.726 . . . . 0.0 112.367 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.58 -41.13 84.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.226 0.61 . . . . 0.0 110.623 -176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.66 75.63 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.246 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.07 -38.08 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.014 0.926 . . . . 0.0 110.769 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -65.45 -50.7 64.39 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.814 0.845 . . . . 0.0 109.511 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -64.17 -41.56 97.07 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.866 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -46.93 84.87 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.361 0.664 . . . . 0.0 109.288 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' HA ' HD21 ' A' ' 60' ' ' LEU . 44.7 t80 -56.08 -60.01 4.1 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.999 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.81 -40.08 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 124.321 1.049 . . . . 0.0 111.851 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -70.66 -31.41 68.32 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.763 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.6 p -93.38 -34.88 13.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.42 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 75.1 p -88.92 -33.73 17.18 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.44 0.696 . . . . 0.0 112.0 -172.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.22 9.09 86.48 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.841 -171.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.53 146.42 34.32 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.513 0.725 . . . . 0.0 109.128 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -69.07 156.81 90.8 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -57.0 -31.18 89.24 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 C-N-CA 123.01 2.473 . . . . 0.0 113.51 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.7 79.94 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.107 0.254 . . . . 0.0 113.093 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.65 -39.75 80.54 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.83 0.852 . . . . 0.0 109.893 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.47 67.67 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -58.07 -45.88 86.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.245 0.966 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.12 -49.51 66.38 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.722 0.809 . . . . 0.0 111.376 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 93.8 mt -65.29 -48.2 73.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.211 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.75 -24.36 66.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.848 0.859 . . . . 0.0 112.097 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.64 -40.64 69.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.95 -15.73 80.8 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-N 115.365 -0.834 . . . . 0.0 113.79 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -110.93 12.64 22.19 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 117.505 0.653 . . . . 0.0 111.739 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 64.73 23.0 12.68 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.176 0.99 . . . . 0.0 111.495 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.2 m95 64.83 19.22 11.78 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.626 1.57 . . . . 0.0 112.034 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.76 96.98 2.12 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 tp -49.22 -49.81 41.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 124.867 1.354 . . . . 0.0 111.454 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.692 HG23 ' HB3' ' A' ' 16' ' ' ALA . 25.4 m -61.19 -41.41 96.77 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.857 0.863 . . . . 0.0 111.66 -176.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.22 91.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.458 0.703 . . . . 0.0 110.955 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -73.61 -42.69 61.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.41 0.684 . . . . 0.0 111.813 -177.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 34' ' ' PHE . 85.1 mt -61.04 -49.07 78.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.735 0.814 . . . . 0.0 110.146 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.2 t -71.2 -26.03 62.77 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.272 0.983 . . . . 0.0 111.101 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.3 -44.11 63.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.42 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 84.1 t80 -63.28 -51.64 65.28 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 124.421 1.076 . . . . 0.0 110.914 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 2.1 pp20? -68.1 -32.67 73.14 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.407 -177.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.59 -45.08 84.61 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.634 0.584 . . . . 0.0 111.441 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.05 -19.29 63.29 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.009 0.193 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -85.2 -36.8 20.76 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 29.4 mm-40 -65.55 -48.01 73.9 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.992 0.517 . . . . 0.0 109.831 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.1 t 63.26 113.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 O-C-N 124.71 1.256 . . . . 0.0 111.106 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -64.96 -25.63 67.96 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.654 0.382 . . . . 0.0 111.779 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.7 m -73.93 -20.62 60.32 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.202 1.001 . . . . 0.0 110.789 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.77 169.1 18.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.332 0.653 . . . . 0.0 110.874 175.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -87.08 89.83 8.14 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 121.434 0.635 . . . . 0.0 110.129 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 68' ' ' GLN . 3.0 mm? -71.96 138.77 82.33 Favored Pre-proline 0 CA--C 1.55 0.944 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.58 -48.78 19.52 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.122 2.548 . . . . 0.0 112.237 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -148.15 161.27 41.78 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.427 1.091 . . . . 0.0 109.411 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.68 139.23 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -72.4 -62.39 1.46 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -161.45 156.72 24.0 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.96 0.504 . . . . 0.0 110.173 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.54 163.89 31.34 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.404 1.082 . . . . 0.0 108.766 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.37 81.15 0.72 Allowed Glycine 0 C--N 1.348 1.222 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 171.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -74.5 154.89 38.48 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.126 0.971 . . . . 0.0 111.297 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 CA-C-O 119.313 -0.715 . . . . 0.0 111.557 177.269 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.886 0.374 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.59 -73.85 0.51 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.109 0.964 . . . . 0.0 108.484 174.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 49.63 76.36 0.14 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.754 1.222 . . . . 0.0 111.3 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.0 p -67.82 93.93 0.43 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.325 0.65 . . . . 0.0 111.098 -170.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 76.8 m95 64.69 -167.98 0.21 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.748 1.219 . . . . 0.0 112.003 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.84 87.76 2.77 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.75 162.65 5.07 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.127 0.971 . . . . 0.0 112.491 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.0 mt -57.02 113.57 1.75 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.132 0.973 . . . . 0.0 111.583 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.8 tp -73.43 -25.15 60.39 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.148 0.979 . . . . 0.0 110.775 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -72.48 163.43 28.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.159 0.584 . . . . 0.0 110.722 173.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 71.4 93.41 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.549 1.54 . . . . 0.0 110.924 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.39 -10.62 12.15 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.782 2.321 . . . . 0.0 113.073 170.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.7 ttp -75.72 -25.82 56.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.053 0.941 . . . . 0.0 111.777 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 t -67.0 -17.29 64.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.374 0.67 . . . . 0.0 112.086 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.62 107.62 3.51 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 173.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -105.82 118.97 37.96 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 174.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -44.64 67.02 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.819 0.848 . . . . 0.0 112.541 -176.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.23 -39.34 92.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.47 0.708 . . . . 0.0 111.013 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.39 -43.62 69.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.2 0.6 . . . . 0.0 111.289 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 56' ' ' LEU . 67.0 t -67.1 -36.56 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.735 0.814 . . . . 0.0 110.131 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.82 -45.09 87.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.811 0.844 . . . . 0.0 109.987 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 t -67.97 -43.18 79.59 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.747 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -38.33 84.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 111.31 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -62.15 -59.3 5.26 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.617 0.573 . . . . 0.0 109.457 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.87 -40.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 124.118 0.967 . . . . 0.0 111.785 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttp-105 -65.93 -43.01 89.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.629 0.772 . . . . 0.0 111.008 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -80.54 -35.97 33.74 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.33 0.652 . . . . 0.0 111.853 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -94.58 -25.56 16.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.762 0.825 . . . . 0.0 111.72 -173.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.03 23.81 75.3 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.081 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.89 173.16 12.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.56 0.744 . . . . 0.0 111.641 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.3 155.85 42.23 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -60.8 -34.94 90.84 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.419 2.746 . . . . 0.0 113.188 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.79 -50.86 33.07 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 123.288 0.367 . . . . 0.0 112.499 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.7 -43.8 93.93 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.221 1.008 . . . . 0.0 110.731 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.96 39.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.247 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -42.72 81.22 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.449 1.1 . . . . 0.0 111.092 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.61 -52.13 66.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.134 0.973 . . . . 0.0 110.864 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 86.5 mt -64.3 -42.83 96.16 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.31 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.85 -48.81 80.05 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.292 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -56.19 -38.85 71.51 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 123.382 0.673 . . . . 0.0 112.285 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.52 -20.67 72.0 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.387 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 65.7 mmtt -106.95 13.75 27.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.907 0.883 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 63.9 37.57 9.45 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.528 1.156 . . . . 0.0 109.817 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 55.6 23.02 5.68 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.99 1.716 . . . . 0.0 113.468 -175.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.91 115.31 17.55 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' HB2' HG11 ' A' ' 30' ' ' VAL . 59.0 tp -55.3 -47.44 75.56 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.38 1.05 . . . . 0.0 111.31 -177.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.6 m -64.37 -46.08 84.93 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.177 0.991 . . . . 0.0 112.077 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.33 72.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.869 0.867 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.77 -38.14 64.77 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.521 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.1 mt -61.33 -46.37 90.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.451 0.7 . . . . 0.0 109.702 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m -62.7 -35.66 80.44 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.4 -37.55 63.35 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.411 0.685 . . . . 0.0 110.817 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 62.8 t80 -67.44 -49.52 63.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.85 -27.05 68.6 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 122.706 0.403 . . . . 0.0 110.57 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.26 -58.03 9.96 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.98 0.912 . . . . 0.0 110.359 171.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 pp -73.56 -15.59 61.28 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.035 0.534 . . . . 0.0 111.359 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -80.17 -36.64 34.77 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.756 0.822 . . . . 0.0 110.003 177.34 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -52.56 -66.96 0.29 Allowed 'General case' 0 C--N 1.36 1.055 0 O-C-N 125.063 1.477 . . . . 0.0 111.479 -166.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' A' ' 72' ' ' ALA . 12.2 t 48.84 52.44 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 C-N-CA 124.657 1.183 . . . . 0.0 110.919 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m80 58.64 37.22 25.29 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.312 1.045 . . . . 0.0 111.699 -176.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.544 ' HB ' HD21 ' A' ' 74' ' ' LEU . 6.0 m 56.2 71.92 0.53 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.109 1.364 . . . . 0.0 110.457 -172.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -62.91 112.71 2.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.324 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 68.18 92.88 0.08 Allowed 'General case' 0 C--N 1.353 0.756 0 O-C-N 125.454 1.721 . . . . 0.0 109.674 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.544 HD21 ' HB ' ' A' ' 71' ' ' THR . 1.2 pp -115.82 141.69 27.91 Favored Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 123.591 0.756 . . . . 0.0 109.928 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.52 -46.44 11.79 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 122.627 2.218 . . . . 0.0 111.698 170.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -141.1 161.04 38.81 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.444 1.098 . . . . 0.0 108.992 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.11 146.65 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 122.263 0.225 . . . . 0.0 110.439 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -130.74 119.76 22.81 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -167.66 90.03 0.32 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.317 1.047 . . . . 0.0 108.236 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -110.69 -11.88 14.37 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.095 0.958 . . . . 0.0 111.067 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.38 -49.55 0.54 Allowed Glycine 0 C--N 1.345 1.046 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -57.27 3.84 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 177.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 CA-C-O 118.822 -0.988 . . . . 0.0 112.734 177.656 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.522 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 57.2 p . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.96 168.99 18.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.638 0.775 . . . . 0.0 111.191 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.68 106.57 5.49 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.369 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.3 m -140.67 106.28 5.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.16 0.584 . . . . 0.0 110.306 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -72.91 140.17 47.32 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.357 0.663 . . . . 0.0 110.095 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.97 -70.98 0.75 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.244 0.618 . . . . 0.0 110.159 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 20' ' ' HIS . . . -162.26 -10.73 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -173.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp 65.5 113.61 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.626 1.17 . . . . 0.0 110.325 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.0 mt 76.07 -49.54 0.6 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.891 1.676 . . . . 0.0 111.67 -176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 17' ' ' ALA . 12.7 t60 -68.83 100.94 1.25 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.417 0.687 . . . . 0.0 109.309 174.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.1 115.15 61.66 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 123.493 0.717 . . . . 0.0 110.035 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.89 -1.04 7.24 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.995 2.464 . . . . 0.0 113.476 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.0 mmm -105.75 -87.25 0.46 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.772 0.429 . . . . 0.0 110.135 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 t -173.24 -49.02 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -130.0 101.41 5.82 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 161.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -97.13 110.43 22.98 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.522 ' SD ' ' HA ' ' A' ' 11' ' ' SER . 61.1 mtt -62.6 -21.98 66.04 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.086 0.954 . . . . 0.0 113.457 -171.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.74 -52.99 20.58 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.13 73.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.638 0.775 . . . . 0.0 112.482 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -73.65 -39.79 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.739 0.816 . . . . 0.0 109.937 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.96 -51.64 63.4 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -50.4 -49.29 54.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.548 1.539 . . . . 0.0 112.223 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.1 -48.6 51.37 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.867 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.59 -50.2 73.91 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.766 0.666 . . . . 0.0 110.751 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.1 -47.13 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.603 0.761 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -73.9 -29.44 62.07 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.066 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -77.5 -54.63 6.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.316 0.646 . . . . 0.0 110.786 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 70.9 p -85.67 -30.17 23.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.53 60.7 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.556 -174.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 144.92 30.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.421 0.688 . . . . 0.0 110.03 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.35 157.85 89.21 Favored Pre-proline 0 N--CA 1.483 1.205 0 CA-C-O 118.478 -0.772 . . . . 0.0 108.964 -175.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -59.63 -32.21 95.58 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 123.2 2.6 . . . . 0.0 113.531 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.48 -52.49 30.33 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.32 -33.69 76.06 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.033 0.933 . . . . 0.0 110.536 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -56.68 9.35 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.699 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.37 -39.42 67.17 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.432 1.083 . . . . 0.0 110.658 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 -49.07 77.34 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.632 0.773 . . . . 0.0 111.402 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.44 -35.29 70.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.125 0.57 . . . . 0.0 110.791 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.9 mt -63.73 -52.25 61.32 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.734 0.814 . . . . 0.0 110.143 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -63.96 -24.19 67.63 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.904 0.481 . . . . 0.0 111.658 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.11 -27.15 74.1 Favored Glycine 0 C--N 1.35 1.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.895 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 46.4 mmtm -105.93 13.63 29.12 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.361 1.064 . . . . 0.0 112.414 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.7 36.38 3.64 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 124.252 1.021 . . . . 0.0 110.318 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.466 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 75.7 m95 60.22 14.59 4.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.231 1.812 . . . . 0.0 113.958 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.96 110.95 6.8 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 tp -52.9 -49.75 65.29 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 m -60.14 -48.6 81.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.161 0.985 . . . . 0.0 111.939 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.1 72.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.79 67.75 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.336 0.398 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.55 -52.82 63.83 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.718 0.807 . . . . 0.0 109.071 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.1 t -56.48 -42.17 77.82 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 124.898 1.374 . . . . 0.0 111.129 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.416 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 16.3 t70 -61.5 -57.55 11.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.477 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 58.6 t80 -61.58 -46.53 89.49 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.753 0.658 . . . . 0.0 110.701 -176.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -69.31 -19.26 63.88 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.384 0.427 . . . . 0.0 111.291 -175.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.31 -53.86 7.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.46 0.704 . . . . 0.0 109.736 173.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.74 -26.15 63.25 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -172.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -73.16 -22.16 60.55 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.376 0.271 . . . . 0.0 111.104 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -67.51 -43.41 80.92 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.379 0.672 . . . . 0.0 110.69 175.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t 72.98 -11.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.394 0 C-N-CA 125.124 1.37 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -71.63 79.88 0.82 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 124.148 0.979 . . . . 0.0 109.735 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t 175.01 -55.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.42 1.888 . . . . 0.0 106.629 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 43.56 27.1 0.14 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.62 1.568 . . . . 0.0 113.144 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -115.96 83.15 1.89 Allowed 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.034 0.934 . . . . 0.0 108.814 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -166.53 159.48 11.82 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 113.916 -1.493 . . . . 0.0 107.582 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -60.45 112.7 1.4 Allowed 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 122.071 1.847 . . . . 0.0 111.354 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -84.89 46.42 1.26 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.748 0.819 . . . . 0.0 111.508 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.9 p -60.65 134.37 26.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.963 0.905 . . . . 0.0 109.701 171.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -61.27 -53.23 59.48 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.7 t30 65.76 156.02 0.09 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.211 1.404 . . . . 0.0 112.824 170.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.49 121.82 19.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.544 0.738 . . . . 0.0 110.465 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -160.04 -105.06 0.2 Allowed Glycine 0 C--N 1.338 0.694 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.28 109.78 19.19 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 177.758 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.243 0.756 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.62 101.87 3.14 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.947 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -157.32 163.82 38.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.149 0.58 . . . . 0.0 110.928 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.02 -49.01 0.09 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.708 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 73.1 m95 65.05 173.29 0.21 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.697 1.599 . . . . 0.0 111.861 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.76 -62.23 0.17 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.138 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.68 27.43 15.85 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.936 0.895 . . . . 0.0 111.566 -175.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.88 117.28 28.59 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.78 0.832 . . . . 0.0 110.252 -174.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -122.03 109.45 14.59 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.191 -1.041 . . . . 0.0 108.191 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.33 -41.01 94.41 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.364 0.666 . . . . 0.0 110.515 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -96.44 153.33 38.93 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 124.791 1.237 . . . . 0.0 109.712 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.95 -10.69 18.12 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 123.016 2.477 . . . . 0.0 114.122 -173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ttt -166.47 -59.12 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.5 0.72 . . . . 0.0 109.733 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.5 m -147.59 -65.1 0.26 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.421 HD22 ' HB3' ' A' ' 54' ' ' TRP . 7.3 tt -173.49 125.42 0.4 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -111.89 102.43 10.68 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -53.19 -37.5 62.0 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.262 1.025 . . . . 0.0 112.577 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.55 -44.82 77.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.146 0.579 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.68 82.06 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.455 . . . . 0.0 111.085 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.1 -38.28 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.463 1.105 . . . . 0.0 110.701 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.62 -50.56 62.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.099 0.56 . . . . 0.0 109.573 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -60.7 -41.01 94.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.819 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.89 -45.53 74.18 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.584 0.754 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.32 -55.85 29.66 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.798 0.686 . . . . 0.0 109.937 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.09 -39.26 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.05 0.94 . . . . 0.0 111.473 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -74.13 -33.39 63.53 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.019 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -78.55 -52.82 7.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.478 0.711 . . . . 0.0 110.848 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.4 p -82.53 -35.55 27.16 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.785 0.834 . . . . 0.0 111.277 -172.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.4 5.03 76.26 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.575 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -75.65 161.92 28.69 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.818 0.847 . . . . 0.0 111.079 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.15 157.16 85.43 Favored Pre-proline 0 N--CA 1.487 1.423 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.847 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.01 -29.8 66.43 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 123.003 2.469 . . . . 0.0 113.814 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.66 47.89 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 40' ' ' ALA . 62.2 tp -63.7 -41.12 98.15 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.195 0.998 . . . . 0.0 109.82 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -54.55 45.16 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -39.49 78.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.533 1.133 . . . . 0.0 111.565 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.94 -47.19 86.02 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.679 0.791 . . . . 0.0 110.864 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.9 mt -69.63 -43.05 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.236 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.19 -56.68 17.96 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.879 0.872 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -59.68 -29.97 68.45 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.368 0.667 . . . . 0.0 112.193 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.65 92.3 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.638 172.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -99.81 16.32 24.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.28 1.032 . . . . 0.0 111.965 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t30 63.56 44.18 5.38 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.145 0.978 . . . . 0.0 110.405 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.421 ' HB3' HD22 ' A' ' 25' ' ' LEU . 92.4 m95 53.22 20.5 1.87 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.966 1.706 . . . . 0.0 114.459 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.39 102.85 3.86 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -49.9 -50.84 44.63 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.778 1.299 . . . . 0.0 111.279 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -63.11 -42.75 99.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.887 0.875 . . . . 0.0 111.732 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.3 74.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.56 0.744 . . . . 0.0 111.513 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.24 -37.85 66.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.475 0.484 . . . . 0.0 111.002 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.69 -47.05 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.481 0.712 . . . . 0.0 109.489 173.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 m -63.27 -34.09 76.91 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.18 -52.15 37.63 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.604 0.762 . . . . 0.0 110.469 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.26 -48.14 81.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.046 0.938 . . . . 0.0 111.114 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 11.4 pt-20 -66.72 -41.41 87.97 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.61 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.97 -46.82 85.92 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 123.385 0.674 . . . . 0.0 111.413 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.55 -29.49 68.89 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.361 0.413 . . . . 0.0 110.117 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -84.84 -3.89 58.85 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 26.4 mm-40 -71.74 -62.33 1.46 Allowed 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 118.94 0.791 . . . . 0.0 109.434 174.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 t 57.2 52.73 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.385 1.074 . . . . 0.0 110.03 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -82.26 -46.19 14.0 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.7 m -87.89 -35.43 17.73 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.516 0.726 . . . . 0.0 110.191 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 67.56 7.91 5.96 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 125.061 1.345 . . . . 0.0 112.569 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -116.09 109.23 17.21 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.515 1.126 . . . . 0.0 108.845 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -146.99 135.16 10.75 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 123.855 0.862 . . . . 0.0 108.968 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.42 101.52 0.87 Allowed 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.894 2.396 . . . . 0.0 112.366 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -94.87 157.69 15.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.282 0.633 . . . . 0.0 109.917 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.97 159.6 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.278 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -87.18 26.16 1.24 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.718 0.807 . . . . 0.0 110.511 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.0 t30 67.61 175.04 0.26 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.806 1.242 . . . . 0.0 109.107 -165.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -66.11 138.68 57.9 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 167.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.79 154.45 51.17 Favored Glycine 0 C--N 1.347 1.168 0 O-C-N 123.37 0.418 . . . . 0.0 112.415 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.0 103.37 0.93 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.789 0.436 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.096 0 CA-C-O 118.781 -1.011 . . . . 0.0 111.085 -175.569 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.87 135.33 33.7 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.62 0.768 . . . . 0.0 110.6 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -155.95 -46.68 0.08 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.73 1.212 . . . . 0.0 108.64 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m 58.51 93.4 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.487 1.515 . . . . 0.0 113.423 167.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -92.6 77.8 4.94 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.99 85.01 0.52 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.242 0.617 . . . . 0.0 109.401 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.89 97.01 3.32 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.869 0.467 . . . . 0.0 109.964 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -136.07 73.44 1.46 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 171.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -109.12 124.36 50.68 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 70.77 155.0 0.14 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.227 1.411 . . . . 0.0 110.053 -170.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.98 119.16 73.78 Favored Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 122.818 0.447 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.53 -12.82 11.15 Favored 'Trans proline' 0 CA--C 1.555 1.559 0 C-N-CA 122.061 1.84 . . . . 0.0 110.827 164.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.8 ttt -173.46 130.86 0.45 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.135 1.774 . . . . 0.0 106.563 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -56.42 -46.1 80.4 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.408 0.683 . . . . 0.0 111.047 -173.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 54' ' ' TRP . 7.4 tt -124.65 102.83 7.79 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 167.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -91.66 98.97 11.96 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 mtt -54.79 -34.52 62.77 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.897 0.879 . . . . 0.0 112.734 -174.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -65.31 -46.47 80.22 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.822 0.449 . . . . 0.0 110.347 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.92 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.156 0.582 . . . . 0.0 111.673 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.9 -45.35 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.516 0.726 . . . . 0.0 110.465 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.14 -47.82 69.9 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.448 0.699 . . . . 0.0 110.661 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.4 t -62.54 -45.51 92.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.689 0.796 . . . . 0.0 111.544 -177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.46 -46.13 87.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.131 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.38 -57.96 10.6 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.968 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.52 -41.37 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 124.454 1.102 . . . . 0.0 111.452 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -67.01 -39.02 86.98 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.047 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.6 m -87.59 -42.42 12.73 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.085 0.554 . . . . 0.0 112.19 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -87.86 -28.83 21.35 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.613 0.765 . . . . 0.0 111.857 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.04 13.98 76.06 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.938 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.6 154.28 28.84 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.472 0.709 . . . . 0.0 110.548 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.94 159.14 83.61 Favored Pre-proline 0 CA--C 1.557 1.223 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -57.35 -35.05 98.86 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.058 2.505 . . . . 0.0 113.522 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -48.65 26.7 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.403 -0.362 . . . . 0.0 113.022 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.25 -43.15 99.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.931 0.892 . . . . 0.0 110.157 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.91 14.93 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.982 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.96 -42.27 68.74 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.53 177.087 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.34 -48.33 80.27 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 123.892 0.745 . . . . 0.0 111.16 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -66.78 -34.19 77.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.85 0.46 . . . . 0.0 110.207 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -42.46 96.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.519 175.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 55.3 mt-10 -60.56 -33.7 73.08 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 122.649 0.379 . . . . 0.0 111.32 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.88 -23.57 75.81 Favored Glycine 0 C--N 1.349 1.25 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.515 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.599 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 41.1 mmtm -109.24 9.14 25.98 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.512 0.725 . . . . 0.0 112.504 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 58.43 40.19 24.4 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 123.016 1.388 . . . . 0.0 110.239 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.447 ' HB3' HD22 ' A' ' 25' ' ' LEU . 64.0 m95 60.37 30.85 20.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.931 2.092 . . . . 0.0 113.461 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.46 118.1 19.57 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.21 -58.29 8.93 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.903 . . . . 0.0 110.861 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -62.84 -40.1 96.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.741 0.816 . . . . 0.0 112.316 -171.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.69 83.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.587 0.755 . . . . 0.0 111.237 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.2 63.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.67 -43.18 94.09 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.092 0.557 . . . . 0.0 109.589 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.8 m -70.53 -29.4 65.88 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.326 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.599 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.8 t70 -69.8 -50.26 44.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.624 0.77 . . . . 0.0 110.816 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -61.06 -49.49 77.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 110.926 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 12.6 pt-20 -66.4 -25.13 66.62 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.798 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -71.34 -51.47 24.08 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.101 0.56 . . . . 0.0 111.015 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.92 -25.01 66.15 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.017 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -76.47 -44.64 34.61 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.342 0.657 . . . . 0.0 111.067 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 5.4 tp60 -54.1 -62.41 1.67 Allowed 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.103 0.961 . . . . 0.0 111.441 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.459 HG12 ' HB1' ' A' ' 72' ' ' ALA . 97.5 t 61.93 -72.72 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 O-C-N 124.993 1.433 . . . . 0.0 111.157 -176.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 77.22 -54.84 0.55 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.959 1.704 . . . . 0.0 111.86 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.6 m -131.13 -51.78 1.03 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.138 0.575 . . . . 0.0 111.062 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB1' HG12 ' A' ' 69' ' ' VAL . . . 62.79 -81.03 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.786 1.235 . . . . 0.0 111.206 -170.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -151.91 9.43 0.52 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.469 0.708 . . . . 0.0 111.059 -176.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD12 ' HD1' ' A' ' 76' ' ' HIS . 3.9 pp -151.41 145.11 17.61 Favored Pre-proline 0 N--CA 1.482 1.156 0 C-N-CA 122.856 0.462 . . . . 0.0 111.454 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 13.9 Cg_exo -71.09 134.56 25.44 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 123.263 2.642 . . . . 0.0 112.369 177.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.453 ' HD1' HD12 ' A' ' 74' ' ' LEU . 57.1 p-80 -169.11 19.1 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.225 1.01 . . . . 0.0 110.611 177.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.08 159.92 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.337 0.655 . . . . 0.0 109.24 -175.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -84.25 -90.76 0.09 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.727 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -166.22 107.03 0.69 Allowed 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.149 0.5 . . . . 0.0 111.612 -173.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -105.97 124.15 49.12 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.322 1.049 . . . . 0.0 109.062 173.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.9 -41.79 6.59 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 175.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.13 -68.26 0.2 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.442 0 CA-C-O 118.804 -0.998 . . . . 0.0 111.847 -175.314 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 62.47 17.87 9.89 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.533 1.133 . . . . 0.0 111.927 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.5 117.08 30.69 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.078 1.351 . . . . 0.0 109.444 -174.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.6 t -163.05 -163.34 0.84 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -177.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -68.77 87.7 0.35 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.464 0.649 . . . . 0.0 110.22 173.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.77 28.27 4.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.655 1.182 . . . . 0.0 108.698 173.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.14 -175.49 5.34 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.251 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -87.46 40.39 0.92 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.763 0.825 . . . . 0.0 110.061 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.4 tp -80.99 96.9 7.25 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.553 0.741 . . . . 0.0 109.027 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -87.39 88.47 7.69 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.104 0.561 . . . . 0.0 109.531 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.85 140.27 93.87 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.162 171.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -35.72 -52.84 0.91 Allowed 'Trans proline' 0 C--N 1.394 2.928 0 C-N-CA 124.983 3.789 . . . . 0.0 114.721 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.3 mtt -136.47 -72.21 0.45 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.674 0.389 . . . . 0.0 110.642 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.0 m 73.52 -56.36 0.65 Allowed 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 125.319 1.448 . . . . 0.0 111.351 -171.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 54' ' ' TRP . 6.3 tt -58.43 119.58 7.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.014 1.725 . . . . 0.0 111.311 -177.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 30' ' ' VAL . 17.1 t70 -111.22 121.35 45.06 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.3 -45.8 72.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.822 0.849 . . . . 0.0 112.415 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.58 -34.2 71.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.527 0.731 . . . . 0.0 110.741 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.57 70.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.171 0.588 . . . . 0.0 111.308 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 26' ' ' ASP . 59.3 t -68.69 -41.02 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.183 0.593 . . . . 0.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.64 -44.46 90.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.063 0.945 . . . . 0.0 110.329 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.1 t -65.83 -47.12 76.07 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.748 0.655 . . . . 0.0 110.352 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.16 -40.83 98.68 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.158 0.911 . . . . 0.0 110.593 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' HZ ' ' HB2' ' A' ' 63' ' ' TYR . 86.3 t80 -63.19 -51.92 64.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 123.923 0.764 . . . . 0.0 110.693 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 40' ' ' ALA . 71.3 t -64.07 -30.96 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.326 0.65 . . . . 0.0 110.807 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -73.94 -30.02 62.32 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.488 1.115 . . . . 0.0 111.389 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.2 p -91.82 -59.11 2.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.219 0.608 . . . . 0.0 111.176 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -76.73 -26.31 54.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.829 0.851 . . . . 0.0 112.281 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.2 21.74 69.73 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.413 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 35' ' ' VAL . . . -70.42 169.9 13.05 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.007 0.923 . . . . 0.0 111.606 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 5.4 pt-20 -85.53 156.31 59.15 Favored Pre-proline 0 CA--C 1.563 1.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 175.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -59.25 -39.8 74.7 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 123.138 2.559 . . . . 0.0 113.683 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.97 -48.7 38.97 Favored Glycine 0 C--N 1.348 1.224 0 O-C-N 123.511 0.507 . . . . 0.0 113.376 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 58.7 tp -58.03 -45.71 86.52 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.121 0.968 . . . . 0.0 110.19 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -55.42 32.93 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.095 0.958 . . . . 0.0 111.636 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.92 -37.35 73.91 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.368 1.067 . . . . 0.0 111.356 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.47 -44.17 97.04 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.875 0.87 . . . . 0.0 110.589 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 14.0 mt -71.01 -39.45 72.38 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.67 -45.75 88.7 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.206 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.42 -25.22 66.65 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.438 0.563 . . . . 0.0 111.089 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.48 3.73 86.29 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-O 119.818 -0.434 . . . . 0.0 113.316 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.666 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 40.9 mmtm -132.4 13.02 4.58 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.177 0.991 . . . . 0.0 112.082 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 t30 64.9 24.72 12.74 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 122.262 1.03 . . . . 0.0 110.564 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.461 ' HB3' HD22 ' A' ' 25' ' ' LEU . 79.5 m95 67.87 24.38 8.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.904 2.082 . . . . 0.0 111.448 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -79.88 112.84 17.56 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.423 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' HB2' HG11 ' A' ' 30' ' ' VAL . 62.3 tp -54.44 -49.67 69.47 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.645 1.216 . . . . 0.0 111.623 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 m -62.22 -40.96 97.86 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.318 1.047 . . . . 0.0 111.709 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HB3' ' HD2' ' A' ' 52' ' ' LYS . . . -74.11 -31.8 62.93 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.341 1.056 . . . . 0.0 110.881 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.6 69.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 94.1 mt -61.04 -45.63 94.0 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.804 0.841 . . . . 0.0 109.281 174.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 m -62.72 -38.63 91.26 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.227 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.666 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.4 t70 -67.8 -42.51 81.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.861 0.864 . . . . 0.0 110.842 -178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.47 ' HB2' ' HZ ' ' A' ' 34' ' ' PHE . 78.7 t80 -65.48 -52.76 50.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.255 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.48 -22.86 66.57 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.768 0.667 . . . . 0.0 110.935 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -76.04 -47.06 26.18 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 124.026 0.829 . . . . 0.0 111.194 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.6 -24.61 56.56 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -15.17 41.01 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.131 0.573 . . . . 0.0 110.048 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.19 -16.32 61.72 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.401 1.081 . . . . 0.0 111.088 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.811 ' HB ' ' HB2' ' A' ' 72' ' ' ALA . 14.1 m -60.01 78.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.433 0 CA-C-O 122.516 1.151 . . . . 0.0 112.467 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -77.57 -22.25 51.24 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.567 1.147 . . . . 0.0 110.192 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -93.73 -20.73 19.85 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.225 1.01 . . . . 0.0 110.783 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.811 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -106.68 -146.74 0.4 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.747 0.819 . . . . 0.0 109.244 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -72.22 84.89 1.05 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.464 0.575 . . . . 0.0 110.275 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -80.21 143.95 57.44 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 123.673 0.789 . . . . 0.0 109.989 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.59 136.88 78.43 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.343 2.695 . . . . 0.0 113.005 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -78.52 148.79 33.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.793 0.437 . . . . 0.0 110.702 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.55 134.25 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.729 0.812 . . . . 0.0 110.505 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -99.59 110.22 22.67 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.526 0.731 . . . . 0.0 109.668 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -69.25 157.98 35.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.441 0.697 . . . . 0.0 111.576 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -112.82 121.69 45.44 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.169 0.988 . . . . 0.0 108.748 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.39 -53.98 41.44 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.821 0.7 . . . . 0.0 111.517 174.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -90.23 86.05 6.41 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.966 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 178.323 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.578 0.228 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.88 -72.83 0.63 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.801 0.84 . . . . 0.0 109.629 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 50.55 102.48 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.662 1.585 . . . . 0.0 111.948 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.4 m -69.05 76.36 0.33 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.289 0.636 . . . . 0.0 111.273 -176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 55.45 -166.73 0.1 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.363 1.465 . . . . 0.0 112.921 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.24 -53.21 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -171.36 121.92 0.53 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.874 1.27 . . . . 0.0 107.956 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 tp -67.85 96.07 0.56 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.9 tp -160.93 91.33 0.88 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.207 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -105.81 21.35 17.42 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.201 1.0 . . . . 0.0 108.336 173.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.12 81.21 51.52 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.1 0.96 . . . . 0.0 109.75 -168.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' HG3' ' HB2' ' A' ' 26' ' ' ASP . 80.0 Cg_endo -76.79 -33.53 2.87 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.364 2.042 . . . . 0.0 111.323 170.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 48.0 mtm -140.62 -63.35 0.48 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.6 m -150.72 -47.49 0.12 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.317 1.047 . . . . 0.0 108.794 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tt -145.86 150.9 37.0 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.17 0.988 . . . . 0.0 108.497 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' HB2' ' HG3' ' A' ' 22' ' ' PRO . 22.6 t70 -138.63 125.71 21.35 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 67.2 mtt -59.21 -42.44 90.98 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.885 0.874 . . . . 0.0 112.271 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.18 -42.97 79.18 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.847 0.459 . . . . 0.0 110.396 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.29 99.19 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.923 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.11 -43.44 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 C-N-CA 123.502 0.721 . . . . 0.0 111.309 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.34 -50.65 70.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.242 0.617 . . . . 0.0 110.423 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -67.37 -40.87 85.76 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.166 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.18 -29.66 61.86 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.013 0.525 . . . . 0.0 110.294 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.81 -53.57 48.78 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.09 -36.23 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.038 0.935 . . . . 0.0 111.22 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -63.34 -35.96 82.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.141 1.377 . . . . 0.0 111.616 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -85.29 -47.91 9.59 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.538 0.735 . . . . 0.0 111.562 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -93.58 -33.92 13.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.87 0.868 . . . . 0.0 112.248 -166.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.72 20.28 64.02 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.503 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.84 157.7 36.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.489 0.716 . . . . 0.0 110.703 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.02 157.07 83.83 Favored Pre-proline 0 CA--C 1.561 1.377 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -57.88 -39.34 87.54 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 123.085 2.524 . . . . 0.0 113.351 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -48.72 67.55 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.829 0.705 . . . . 0.0 112.842 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.92 -42.18 97.46 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.439 1.096 . . . . 0.0 110.739 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -54.79 41.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.054 0.942 . . . . 0.0 110.71 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -39.4 88.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.542 1.137 . . . . 0.0 111.121 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.75 -45.24 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.054 0.941 . . . . 0.0 110.915 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.13 -41.63 85.84 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.001 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.49 -33.5 75.22 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.053 -176.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -66.48 -28.0 68.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.475 0.579 . . . . 0.0 111.017 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.37 -13.87 77.71 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.429 0.456 . . . . 0.0 113.005 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -112.37 6.63 18.85 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.438 0.695 . . . . 0.0 112.374 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t30 64.75 25.93 13.0 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.165 0.986 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 71.08 19.05 5.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.3 119.03 18.85 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.98 -52.35 65.78 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.291 0.994 . . . . 0.0 110.722 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.9 m -61.74 -40.54 95.44 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.339 1.024 . . . . 0.0 111.959 -172.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.58 90.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.833 0.853 . . . . 0.0 110.864 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -37.76 63.42 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.638 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.6 -46.16 91.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.55 0.74 . . . . 0.0 109.726 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 t -64.05 -33.78 76.54 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.961 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -73.1 -40.7 64.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.523 0.729 . . . . 0.0 111.654 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.79 -47.49 74.98 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.679 0.391 . . . . 0.0 110.924 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.71 -24.04 65.34 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.38 -45.79 61.96 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 123.368 0.667 . . . . 0.0 111.243 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.36 -26.32 60.96 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.53 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -74.75 -24.06 58.65 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.897 0.879 . . . . 0.0 111.022 172.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -74.02 -20.33 60.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.182 0.593 . . . . 0.0 110.96 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.3 t -75.75 90.9 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -128.92 83.92 2.19 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 169.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.3 m 65.78 15.32 10.0 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 124.014 0.925 . . . . 0.0 111.289 -176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.41 76.88 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.584 0.707 . . . . 0.0 110.716 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -139.68 101.35 4.18 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 168.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.6 mt 67.05 141.84 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.72 0 C-N-CA 124.346 1.058 . . . . 0.0 111.401 -175.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.96 93.45 0.39 Allowed 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.627 2.218 . . . . 0.0 111.315 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -122.07 99.39 6.41 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.18 0.992 . . . . 0.0 108.52 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.8 t -75.2 96.7 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -81.31 90.32 6.13 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 173.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -167.29 108.11 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.46 0.704 . . . . 0.0 109.301 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -128.13 113.54 15.87 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 171.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 165.52 96.97 0.11 Allowed Glycine 0 C--N 1.341 0.81 0 O-C-N 123.586 0.554 . . . . 0.0 112.35 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -71.98 142.31 49.39 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.096 0.558 . . . . 0.0 110.092 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.133 0 CA-C-O 118.968 -0.907 . . . . 0.0 112.827 179.139 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.64 75.22 10.32 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.256 0.622 . . . . 0.0 110.94 -176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 49.42 74.78 0.18 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.006 1.322 . . . . 0.0 112.215 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.6 m -65.82 -23.69 66.74 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.456 172.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -89.64 24.73 2.22 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.289 1.035 . . . . 0.0 111.698 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.01 50.45 1.73 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.574 0.702 . . . . 0.0 110.497 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.02 3.23 52.38 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.258 1.023 . . . . 0.0 110.459 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pp -84.34 176.75 8.5 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.537 1.135 . . . . 0.0 111.455 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 tp 56.92 82.18 0.12 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.167 1.387 . . . . 0.0 112.066 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -96.49 -36.35 10.81 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.4 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -153.88 146.98 17.94 Favored Pre-proline 0 N--CA 1.481 1.093 0 C-N-CA 124.185 0.994 . . . . 0.0 108.503 170.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.82 -25.04 8.06 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.469 2.113 . . . . 0.0 113.882 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.2 ttt -164.13 -45.72 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.044 0.938 . . . . 0.0 109.02 -175.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -152.04 -63.9 0.17 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.91 0.884 . . . . 0.0 109.176 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 54' ' ' TRP . 54.1 tp -162.02 118.03 2.02 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.796 0.838 . . . . 0.0 109.986 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -120.51 101.61 7.88 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 167.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtt -57.53 -33.46 68.11 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.894 0.878 . . . . 0.0 112.054 -173.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.81 -45.67 88.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.393 0.677 . . . . 0.0 110.651 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.49 76.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.277 0.631 . . . . 0.0 111.493 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.92 -34.96 71.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 123.243 0.617 . . . . 0.0 110.28 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.17 -50.73 52.57 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.282 1.033 . . . . 0.0 110.936 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -65.41 -45.98 81.79 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.534 0.734 . . . . 0.0 111.143 -173.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.16 -34.89 78.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.607 0.763 . . . . 0.0 111.579 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.31 -57.4 11.51 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.529 0.332 . . . . 0.0 110.412 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -43.77 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.317 1.047 . . . . 0.0 111.34 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -68.62 -33.15 73.53 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.578 0.751 . . . . 0.0 111.852 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 t -81.02 -50.9 9.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.94 0.496 . . . . 0.0 111.288 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.415 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 68.3 p -85.92 -30.8 22.55 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.774 0.83 . . . . 0.0 112.133 -169.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.34 19.55 62.16 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.539 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.73 159.25 28.04 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.345 0.658 . . . . 0.0 111.15 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -86.58 155.59 56.45 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.49 -41.28 79.51 Favored 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 123.497 2.798 . . . . 0.0 113.767 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.03 -48.34 48.23 Favored Glycine 0 C--N 1.345 1.078 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.774 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 tp -59.85 -45.39 92.58 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.696 0.798 . . . . 0.0 110.417 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.2 -57.87 10.72 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.449 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -39.18 93.99 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.406 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.8 -39.58 93.82 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.354 0.662 . . . . 0.0 110.827 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.7 mt -66.61 -47.19 73.47 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.237 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.0 -42.41 85.1 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.119 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.01 -39.83 87.17 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.866 0.303 . . . . 0.0 111.087 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.59 -21.08 79.81 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.336 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HG3' ' HA ' ' A' ' 59' ' ' ALA . 11.1 mmpt? -100.35 18.04 19.93 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.1 t30 63.22 22.34 13.3 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.413 1.085 . . . . 0.0 111.286 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.434 ' HB3' HD11 ' A' ' 25' ' ' LEU . 83.6 m95 56.02 28.57 12.98 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.466 1.906 . . . . 0.0 112.481 -173.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.22 115.26 23.66 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 65.3 tp -54.79 -50.52 68.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.246 1.018 . . . . 0.0 111.482 -176.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.9 m -62.66 -36.77 83.93 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.534 0.733 . . . . 0.0 111.518 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.44 92.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.546 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.544 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -71.89 -37.78 70.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.575 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 91.8 mt -61.17 -47.5 85.89 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.27 0.628 . . . . 0.0 109.369 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 t -64.19 -42.05 96.82 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.808 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 24.9 t70 -71.82 -44.89 63.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.856 0.463 . . . . 0.0 110.711 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 80.1 t80 -59.62 -52.07 67.1 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.793 0.683 . . . . 0.0 110.285 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.67 -32.51 72.69 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 123.697 0.623 . . . . 0.0 110.205 -175.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 34.8 tt0 -66.03 -45.78 80.24 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.602 0.761 . . . . 0.0 111.951 177.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.37 -28.35 56.74 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.65 -19.63 29.0 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.206 0.203 . . . . 0.0 111.233 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' HA ' HD11 ' A' ' 74' ' ' LEU . 16.4 mm-40 -48.92 -56.39 8.98 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.735 1.214 . . . . 0.0 111.656 172.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 t 53.02 36.69 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 CA-C-N 114.271 -1.331 . . . . 0.0 109.214 -168.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 60.21 47.49 9.23 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.731 1.612 . . . . 0.0 111.004 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 m 60.76 38.22 18.33 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.339 1.456 . . . . 0.0 111.37 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.31 -55.96 5.71 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.136 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -142.42 93.09 2.49 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 68' ' ' GLN . 94.8 mt -135.01 138.98 30.7 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 124.086 0.954 . . . . 0.0 110.347 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.87 115.57 2.89 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.444 2.096 . . . . 0.0 110.102 164.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -68.81 101.23 1.3 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.584 0.707 . . . . 0.0 110.921 -176.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.1 m -109.94 29.27 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 124.819 1.248 . . . . 0.0 109.675 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -67.11 -20.11 65.73 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.517 1.127 . . . . 0.0 111.428 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -63.94 -33.16 75.09 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.208 0.603 . . . . 0.0 111.433 173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 59.65 -178.41 0.09 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.882 1.273 . . . . 0.0 112.688 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.59 -63.97 4.27 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 113.108 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -137.66 96.92 3.33 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.622 1.169 . . . . 0.0 108.097 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.267 0 CA-C-O 118.698 -1.057 . . . . 0.0 111.487 174.303 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.72 0.295 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.12 101.25 2.73 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.312 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -40.83 79.37 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.441 1.096 . . . . 0.0 111.925 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.5 m 58.65 -169.34 0.13 Allowed 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 124.72 1.208 . . . . 0.0 113.064 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.7 m95 68.62 163.51 0.22 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.409 1.484 . . . . 0.0 112.148 174.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.37 36.23 1.65 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.538 0.735 . . . . 0.0 109.866 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.79 103.48 12.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.281 1.032 . . . . 0.0 110.439 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -159.81 159.58 32.8 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 123.72 0.808 . . . . 0.0 109.389 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -131.41 164.58 25.39 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.043 0.937 . . . . 0.0 110.169 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -88.23 86.94 7.16 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.433 0.635 . . . . 0.0 110.094 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -156.37 138.03 9.81 Favored Pre-proline 0 CA--C 1.543 0.681 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.91 -42.53 36.77 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.423 2.082 . . . . 0.0 112.728 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.5 mtt -94.53 -81.8 0.38 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.307 0.643 . . . . 0.0 109.665 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -162.24 -40.57 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.687 1.195 . . . . 0.0 108.515 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 30' ' ' VAL . 69.8 tp -157.35 130.89 7.95 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.884 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -127.73 96.52 4.54 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 166.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.9 mtt -52.96 -35.37 58.8 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.128 0.971 . . . . 0.0 113.26 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.09 -45.2 67.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.179 0.591 . . . . 0.0 110.188 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.64 82.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.259 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG23 HD12 ' A' ' 25' ' ' LEU . 77.7 t -70.98 -37.92 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.471 1.108 . . . . 0.0 110.597 -178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.3 -49.97 69.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.229 0.612 . . . . 0.0 110.074 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.8 t -67.14 -38.49 85.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.112 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.71 -40.57 66.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.37 0.668 . . . . 0.0 110.078 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.47 -54.21 49.4 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.585 0.553 . . . . 0.0 109.557 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.65 -37.0 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.451 1.1 . . . . 0.0 111.545 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -74.17 -34.71 63.88 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.943 0.897 . . . . 0.0 111.588 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 m -87.0 -37.66 17.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.173 0.589 . . . . 0.0 111.785 -175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 p -96.15 -28.75 14.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.706 0.802 . . . . 0.0 111.558 -172.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 7.31 87.97 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.518 -173.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -74.87 154.02 38.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 109.94 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.19 158.79 81.46 Favored Pre-proline 0 CA--C 1.554 1.101 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.73 -30.3 84.74 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.987 2.458 . . . . 0.0 113.394 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -47.96 31.36 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.597 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 40' ' ' ALA . 48.0 tp -62.46 -43.01 99.85 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.861 0.864 . . . . 0.0 110.093 176.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.85 16.95 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.311 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -55.64 -40.83 72.71 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.601 1.16 . . . . 0.0 111.227 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.35 -48.95 78.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.462 0.705 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 55.6 mt -69.39 -39.5 77.94 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.693 0.62 . . . . 0.0 110.216 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.15 -51.16 70.21 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.003 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -58.8 -34.54 71.6 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.107 0.563 . . . . 0.0 111.603 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.81 -22.74 78.26 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.617 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.644 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 44.6 mmtm -107.54 19.61 19.98 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.862 0.865 . . . . 0.0 112.734 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.75 31.74 14.07 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 122.714 1.245 . . . . 0.0 110.095 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 60.8 m95 57.32 18.3 4.25 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 126.498 1.919 . . . . 0.0 113.756 -175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.83 112.31 12.09 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.5 -46.21 69.95 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.379 1.049 . . . . 0.0 111.377 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -62.21 -44.78 95.81 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.148 0.979 . . . . 0.0 111.875 -171.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.62 68.16 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.132 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.78 -35.15 64.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.294 0.638 . . . . 0.0 111.507 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.61 0.764 . . . . 0.0 109.689 175.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 t -73.55 -28.49 61.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.644 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 36.2 t70 -68.62 -46.52 69.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.404 0.682 . . . . 0.0 109.859 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.4 -51.22 70.29 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.067 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.34 -31.86 72.56 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 122.753 0.421 . . . . 0.0 110.619 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.42 -46.21 64.37 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.982 0.913 . . . . 0.0 110.582 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.61 -29.5 51.89 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 122.131 -0.356 . . . . 0.0 111.686 -175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -3.19 58.99 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 117.926 0.33 . . . . 0.0 110.811 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -64.82 -61.79 1.96 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.556 0.743 . . . . 0.0 109.697 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.7 t 52.25 100.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.388 1.475 . . . . 0.0 112.109 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -71.95 -21.98 61.52 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.883 0.873 . . . . 0.0 111.736 -171.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.6 t -92.5 1.89 56.99 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.526 0.731 . . . . 0.0 111.677 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.35 163.07 13.73 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.556 0.742 . . . . 0.0 110.802 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.94 39.55 1.27 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.754 0.822 . . . . 0.0 110.516 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.25 141.6 86.21 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 123.512 0.725 . . . . 0.0 110.916 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -81.76 50.45 3.49 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.359 2.706 . . . . 0.0 112.471 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -73.59 83.26 1.54 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.183 0.992 . . . . 0.0 110.115 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.9 m -103.09 152.4 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.018 0.927 . . . . 0.0 110.039 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -149.73 -41.08 0.14 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.319 0.648 . . . . 0.0 110.181 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -73.3 103.14 3.89 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.585 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -157.16 178.53 10.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.543 1.137 . . . . 0.0 109.634 -176.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.32 -21.89 32.64 Favored Glycine 0 C--N 1.346 1.127 0 N-CA-C 114.576 0.59 . . . . 0.0 114.576 168.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -115.7 143.44 45.37 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 117.796 0.798 . . . . 0.0 109.74 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 CA-C-O 119.254 -0.748 . . . . 0.0 112.106 179.282 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 121.21 0.529 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.06 139.51 32.3 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.459 1.103 . . . . 0.0 108.895 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.74 -72.36 0.24 Allowed 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -176.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.1 m -90.06 118.99 30.03 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.779 0.431 . . . . 0.0 110.458 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -75.12 -52.43 11.02 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.356 0.662 . . . . 0.0 109.812 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.74 26.79 15.09 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.65 1.219 . . . . 0.0 111.838 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.1 33.08 4.47 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.295 1.038 . . . . 0.0 111.253 -173.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.32 -29.47 57.31 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.995 0.918 . . . . 0.0 111.086 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.7 mt 69.88 103.77 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.852 1.261 . . . . 0.0 111.624 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -124.31 37.91 4.3 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.48 1.112 . . . . 0.0 110.13 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.456 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 2.6 p-10 -70.68 164.78 52.2 Favored Pre-proline 0 CA--C 1.567 1.628 0 C-N-CA 123.338 0.655 . . . . 0.0 110.151 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 21' ' ' ASP . 17.8 Cg_endo -55.74 -27.58 62.31 Favored 'Trans proline' 0 C--N 1.389 2.703 0 C-N-CA 123.21 2.606 . . . . 0.0 114.961 -176.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.1 mmt -116.91 -91.99 0.53 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 122.825 0.45 . . . . 0.0 110.379 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -171.67 14.13 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.309 1.043 . . . . 0.0 109.838 -173.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.54 ' HG ' HG22 ' A' ' 30' ' ' VAL . 9.5 tt -131.02 106.17 8.22 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.828 0.851 . . . . 0.0 109.039 -166.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.45 117.47 28.39 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -55.83 -41.47 74.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.843 0.857 . . . . 0.0 112.653 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.78 -40.42 91.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.86 0.864 . . . . 0.0 111.25 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.22 71.31 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.971 0.508 . . . . 0.0 110.872 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.54 HG22 ' HG ' ' A' ' 25' ' ' LEU . 71.5 t -65.16 -33.91 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.474 1.11 . . . . 0.0 111.123 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -60.71 -46.79 89.06 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.759 173.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -65.86 -40.28 91.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.016 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.0 -47.16 86.98 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.531 0.733 . . . . 0.0 110.346 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.94 -59.18 5.79 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.644 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.1 t -55.8 -37.08 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.962 0.905 . . . . 0.0 111.837 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.67 -30.61 65.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.894 0.877 . . . . 0.0 111.253 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 m -89.64 -34.5 16.27 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.401 0.68 . . . . 0.0 112.225 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -102.7 -26.42 13.18 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.537 0.735 . . . . 0.0 112.308 -168.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.09 78.73 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.891 -173.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.51 162.55 28.7 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.486 0.714 . . . . 0.0 111.068 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.66 158.22 78.72 Favored Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -54.89 -38.7 92.56 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 123.156 2.571 . . . . 0.0 113.463 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.14 -50.51 45.3 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.122 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.64 -37.74 85.13 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.702 0.801 . . . . 0.0 110.239 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -55.94 27.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.928 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -37.91 81.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.231 1.012 . . . . 0.0 111.587 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.3 -50.57 69.53 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.459 0.704 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 87.5 mt -67.97 -40.75 83.11 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.627 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.98 -56.18 24.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.308 0.643 . . . . 0.0 110.965 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -60.97 -31.63 71.2 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.343 0.657 . . . . 0.0 112.085 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.83 -26.61 71.29 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.735 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 69.0 mmtt -109.18 21.08 17.59 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.526 0.73 . . . . 0.0 112.121 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 67.75 33.97 4.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.13 0.967 . . . . 0.0 110.512 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 60.81 12.2 3.65 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 125.948 1.699 . . . . 0.0 114.147 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.29 104.56 2.27 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HB2' HG11 ' A' ' 30' ' ' VAL . 68.0 tp -49.44 -53.85 20.72 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.82 1.325 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -59.33 -42.35 91.28 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.189 0.995 . . . . 0.0 112.118 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.61 78.21 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.258 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.02 -40.14 68.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.789 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.1 mt -58.61 -45.54 88.94 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.623 0.769 . . . . 0.0 110.511 175.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -65.96 -36.9 84.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.375 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.76 -38.61 83.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.666 0.786 . . . . 0.0 110.555 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.96 -45.24 74.77 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.061 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.3 -17.7 61.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.198 0.199 . . . . 0.0 110.561 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.48 -47.61 54.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.179 0.592 . . . . 0.0 110.484 172.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.87 -25.91 60.29 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.533 0.333 . . . . 0.0 111.204 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -76.44 -24.98 53.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.2 0.6 . . . . 0.0 111.611 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.03 -62.1 2.1 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.813 0.845 . . . . 0.0 112.135 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t 57.61 37.84 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-O 122.291 1.043 . . . . 0.0 111.008 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -82.77 120.41 25.58 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.874 -176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 m 66.18 22.28 11.03 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 124.566 1.146 . . . . 0.0 111.36 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.26 165.98 25.35 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.68 0.792 . . . . 0.0 111.078 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -116.51 67.94 0.73 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.051 0.94 . . . . 0.0 110.459 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 7.2 mp -104.06 126.9 30.46 Favored Pre-proline 0 N--CA 1.479 0.983 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 4.8 Cg_exo -76.6 30.95 0.4 Allowed 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.64 2.893 . . . . 0.0 114.415 -177.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 74' ' ' LEU . 90.1 m-70 -71.05 -12.17 61.37 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.495 0.718 . . . . 0.0 111.417 174.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.8 m -68.53 -10.26 12.77 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 124.421 1.088 . . . . 0.0 112.634 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -60.6 100.23 0.1 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.856 0.862 . . . . 0.0 110.537 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -167.16 139.6 3.4 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.107 0.963 . . . . 0.0 108.832 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.24 148.79 30.0 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 123.964 0.906 . . . . 0.0 109.483 174.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 165.94 80.53 0.04 OUTLIER Glycine 0 C--N 1.341 0.85 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.26 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -87.16 80.92 8.16 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.171 0.986 . . . . 0.0 109.861 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.813 -179.213 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.04 70.93 10.64 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -99.08 8.83 44.56 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.867 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.9 p -78.39 86.25 4.46 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.816 0.846 . . . . 0.0 110.366 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -131.53 148.98 52.67 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.282 0.633 . . . . 0.0 110.416 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.12 67.34 1.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.526 0.73 . . . . 0.0 109.361 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.53 123.93 29.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.912 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 tp -113.46 102.93 10.77 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -89.46 81.05 6.62 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.63 128.87 11.97 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.805 0.842 . . . . 0.0 109.683 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -69.08 150.02 97.59 Favored Pre-proline 0 C--O 1.245 0.839 0 C-N-CA 124.439 1.095 . . . . 0.0 111.04 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -51.76 -39.25 67.61 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 123.044 2.496 . . . . 0.0 113.315 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.4 mtp -98.48 -80.18 0.46 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.088 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -154.84 -53.38 0.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 tt -140.15 106.82 5.35 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 159.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -98.49 107.07 19.43 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.3 mtt -60.49 -28.02 68.03 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.39 -40.0 70.83 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.969 0.508 . . . . 0.0 109.659 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.17 -41.84 73.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.258 0.623 . . . . 0.0 110.59 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.96 -38.3 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.354 0.662 . . . . 0.0 110.838 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.1 tp -69.56 -50.82 41.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.886 0.474 . . . . 0.0 110.161 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -48.34 72.95 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.732 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.63 -31.07 68.96 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.542 0.737 . . . . 0.0 112.016 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -60.9 -56.14 24.73 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.01 -38.74 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.374 1.07 . . . . 0.0 111.874 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.58 -30.29 61.65 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.664 0.785 . . . . 0.0 111.498 -176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.4 t -89.99 -36.83 14.73 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.798 0.439 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 81.2 p -96.01 -34.09 11.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.354 0.662 . . . . 0.0 111.887 -171.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.1 20.8 60.14 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.596 -172.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.65 149.86 27.14 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.361 0.664 . . . . 0.0 110.338 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.77 158.46 84.71 Favored Pre-proline 0 CA--C 1.557 1.245 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -56.97 -36.81 99.4 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 123.383 2.722 . . . . 0.0 113.856 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -48.18 53.36 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.194 0.309 . . . . 0.0 112.942 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.31 -42.01 97.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.788 0.835 . . . . 0.0 110.202 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.33 -56.9 13.95 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.196 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -41.95 71.02 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.411 1.084 . . . . 0.0 111.681 178.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.6 -49.75 72.11 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.74 0.65 . . . . 0.0 111.041 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.2 mt -59.9 -50.19 74.75 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.681 0.613 . . . . 0.0 109.775 177.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -55.41 -54.02 49.03 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.066 0.854 . . . . 0.0 111.839 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 34.6 mt-10 -57.13 -33.95 67.89 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.667 0.387 . . . . 0.0 111.944 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.88 -27.78 71.71 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.739 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mmtt -100.95 14.59 31.4 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.315 0.646 . . . . 0.0 111.457 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 68.15 24.09 7.76 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.967 1.307 . . . . 0.0 112.305 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.404 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 82.7 m95 69.22 14.93 8.63 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 126.405 1.882 . . . . 0.0 112.747 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.19 107.76 3.35 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.0 tp -52.58 -56.93 11.87 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 110.668 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.6 m -60.97 -36.52 79.65 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.096 0.959 . . . . 0.0 112.423 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.61 90.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.081 0.552 . . . . 0.0 110.975 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.49 70.38 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.7 mt -60.7 -47.64 85.37 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.193 0.597 . . . . 0.0 109.528 176.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.5 t -69.8 -31.43 69.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.669 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.24 -47.47 61.21 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.85 0.46 . . . . 0.0 110.179 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 81.7 t80 -57.22 -49.1 77.05 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.178 0.991 . . . . 0.0 111.075 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 15.8 pt-20 -69.03 -35.39 76.57 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -64.21 -44.05 93.11 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.72 0.808 . . . . 0.0 111.424 -177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.18 -26.03 62.79 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -84.71 -13.0 52.68 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 28.4 mm-40 -71.28 -56.24 6.42 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.0 t 58.62 99.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 124.239 1.016 . . . . 0.0 110.003 -174.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -60.03 -33.38 71.94 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.804 0.841 . . . . 0.0 112.077 -171.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.8 p -74.04 -42.71 59.85 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.246 0.618 . . . . 0.0 110.987 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.93 66.11 9.56 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.453 0.701 . . . . 0.0 110.185 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 56.47 89.93 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.945 1.298 . . . . 0.0 111.471 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -66.32 161.05 61.18 Favored Pre-proline 0 N--CA 1.484 1.268 0 C-N-CA 123.135 0.574 . . . . 0.0 110.336 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -48.69 -30.32 16.45 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 123.231 2.621 . . . . 0.0 113.691 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.9 t60 60.84 51.52 4.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.416 1.086 . . . . 0.0 109.659 173.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 m -74.97 122.92 29.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.105 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -69.55 105.98 2.84 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.756 0.822 . . . . 0.0 108.8 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 66.11 -78.87 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.981 1.312 . . . . 0.0 111.096 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 58.01 82.1 0.14 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.506 1.123 . . . . 0.0 111.036 -175.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.97 135.11 3.27 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.358 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -107.39 72.4 0.87 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.534 0.734 . . . . 0.0 109.711 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.31 0 CA-C-O 118.63 -1.094 . . . . 0.0 111.921 178.496 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.45 73.3 8.5 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.553 0.692 . . . . 0.0 109.291 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.77 115.52 30.33 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 -176.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.2 t -140.75 160.24 40.48 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.562 0.745 . . . . 0.0 110.813 -174.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -80.99 67.21 6.81 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.744 0.818 . . . . 0.0 110.296 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.37 -54.17 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.839 0.855 . . . . 0.0 109.483 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 67.77 165.92 0.23 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.82 1.248 . . . . 0.0 111.892 -176.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.49 123.85 31.39 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.099 0.56 . . . . 0.0 109.921 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -103.35 162.56 12.9 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.812 0.845 . . . . 0.0 109.751 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -90.43 2.38 55.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.25 0.62 . . . . 0.0 111.246 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.1 152.49 41.35 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 124.136 0.975 . . . . 0.0 110.572 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -61.91 -31.59 84.7 Favored 'Trans proline' 0 C--N 1.383 2.393 0 C-N-CA 122.746 2.297 . . . . 0.0 112.311 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.8 ttt -154.52 -70.86 0.13 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.766 0.826 . . . . 0.0 109.103 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -149.44 -59.41 0.21 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.07 126.37 11.47 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -124.79 115.25 20.39 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.3 mtt -53.53 -41.64 66.61 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.886 0.875 . . . . 0.0 112.271 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.64 -48.61 74.21 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.115 0.566 . . . . 0.0 110.249 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.16 82.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.235 0.614 . . . . 0.0 111.689 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.1 t -73.85 -47.16 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.964 0.905 . . . . 0.0 110.842 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.34 -44.97 86.04 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.387 0.675 . . . . 0.0 110.553 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -67.42 -41.29 85.07 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.341 0.656 . . . . 0.0 111.05 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.74 -46.11 86.81 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.642 0.589 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -59.48 -60.03 4.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.302 1.001 . . . . 0.0 110.466 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.0 t -57.28 -45.07 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.623 0.769 . . . . 0.0 111.499 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -70.18 -38.35 75.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.395 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.1 t -78.5 -54.97 5.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.073 0.549 . . . . 0.0 110.677 -176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.7 p -75.74 -21.8 57.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.475 0.71 . . . . 0.0 111.805 -173.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.05 29.27 62.95 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.032 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.04 176.4 9.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.632 0.773 . . . . 0.0 111.059 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -96.73 158.92 32.79 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -58.08 -38.06 93.2 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.129 2.552 . . . . 0.0 112.655 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.39 -50.45 55.64 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.773 0.671 . . . . 0.0 113.506 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.11 -48.68 80.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.704 0.802 . . . . 0.0 110.477 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.1 -57.41 12.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.545 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -59.62 -38.86 82.46 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.36 1.064 . . . . 0.0 111.402 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.78 -41.08 92.45 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.269 0.628 . . . . 0.0 111.03 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.22 -42.58 88.51 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.652 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.89 -45.87 91.88 Favored 'General case' 0 C--O 1.212 -0.912 0 O-C-N 124.031 0.832 . . . . 0.0 111.334 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.8 mt-10 -58.48 -39.19 79.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.781 0.432 . . . . 0.0 110.945 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 -20.32 79.9 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.565 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -108.24 17.74 21.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.449 0.7 . . . . 0.0 112.418 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t30 62.11 25.85 15.51 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.509 1.147 . . . . 0.0 111.111 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.8 m95 64.51 18.75 11.53 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.27 1.828 . . . . 0.0 112.326 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -75.72 105.6 6.84 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.7 -55.77 10.44 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.981 1.426 . . . . 0.0 111.811 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.7 m -58.35 -39.41 79.43 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.992 0.917 . . . . 0.0 112.513 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.3 -38.1 78.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.835 0.854 . . . . 0.0 111.001 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.89 -37.36 67.32 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.09 -46.43 87.44 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.594 0.758 . . . . 0.0 109.431 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -63.68 -33.63 76.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.773 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.8 -37.91 62.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.505 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 66.8 t80 -64.5 -51.99 60.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.312 0.645 . . . . 0.0 110.893 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.21 -30.09 70.95 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.22 0.608 . . . . 0.0 110.717 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -51.14 69.91 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.914 0.886 . . . . 0.0 110.44 173.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.15 -23.94 59.34 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.402 0.144 . . . . 0.0 111.141 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.9 mmt-85 -78.55 -23.49 46.14 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.263 0.625 . . . . 0.0 111.251 175.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -55.14 -58.08 9.15 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.671 0.788 . . . . 0.0 111.237 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.5 t 54.89 96.44 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.667 1.187 . . . . 0.0 111.489 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -64.45 -22.21 66.89 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.121 0.568 . . . . 0.0 111.916 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.4 m -70.53 -34.86 72.76 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.718 0.807 . . . . 0.0 110.554 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.88 -62.97 1.42 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.476 0.711 . . . . 0.0 109.975 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -88.82 141.29 28.63 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.838 0.855 . . . . 0.0 111.103 -174.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.56 154.39 73.77 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.06 0.944 . . . . 0.0 109.313 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -44.73 -77.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 123.676 2.917 . . . . 0.0 113.896 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -177.12 95.37 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.392 0.677 . . . . 0.0 110.774 175.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.24 130.53 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 170.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -147.54 23.13 1.14 Allowed 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.689 0.756 . . . . 0.0 109.38 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -71.02 98.47 1.63 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.888 -174.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -131.86 172.32 12.46 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.207 1.003 . . . . 0.0 109.726 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.98 -88.06 0.3 Allowed Glycine 0 C--N 1.351 1.367 0 O-C-N 123.684 0.615 . . . . 0.0 113.162 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -149.79 145.63 26.72 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.913 0.885 . . . . 0.0 108.786 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 119.119 -0.823 . . . . 0.0 111.159 177.138 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.33 95.16 2.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.495 1.118 . . . . 0.0 108.896 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -94.55 -38.14 11.03 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.645 0.778 . . . . 0.0 110.027 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.9 m -87.65 49.77 1.87 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.252 1.021 . . . . 0.0 111.871 -172.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -60.46 -45.1 94.93 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.708 0.803 . . . . 0.0 111.081 175.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.92 -42.43 73.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.174 0.59 . . . . 0.0 110.101 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.43 86.54 0.08 Allowed 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.637 1.211 . . . . 0.0 111.152 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.0 150.13 42.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.097 0.559 . . . . 0.0 110.888 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.92 114.76 9.3 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.886 0.874 . . . . 0.0 109.213 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -162.78 165.39 25.49 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.112 0.965 . . . . 0.0 110.042 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.63 159.03 39.45 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 123.308 0.643 . . . . 0.0 109.528 170.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 26' ' ' ASP . 65.8 Cg_exo -47.0 -12.72 0.1 Allowed 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 124.401 3.401 . . . . 0.0 116.671 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ttt -148.24 -57.96 0.23 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.922 0.889 . . . . 0.0 109.201 173.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -165.49 -43.76 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.173 0.989 . . . . 0.0 110.024 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.8 tp -144.88 121.31 10.99 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.026 1.33 . . . . 0.0 108.019 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 10.6 t70 -118.26 100.49 7.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 172.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.03 -32.23 65.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.072 0.949 . . . . 0.0 112.283 -174.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.95 -46.96 69.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.177 0.591 . . . . 0.0 110.219 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.13 86.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.701 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG13 ' HB2' ' A' ' 56' ' ' LEU . 91.8 t -67.64 -36.62 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.388 1.075 . . . . 0.0 110.81 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.34 0.656 . . . . 0.0 109.908 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -64.31 -39.71 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.471 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.1 -46.11 78.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.502 0.721 . . . . 0.0 110.388 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -58.69 -53.5 57.7 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.9 -39.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 124.207 1.003 . . . . 0.0 111.829 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -67.43 -36.65 81.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.581 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -82.9 -45.16 14.54 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.749 0.82 . . . . 0.0 111.795 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.421 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.6 p -95.04 -27.17 15.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.821 0.848 . . . . 0.0 111.648 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.77 6.05 89.34 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.932 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB1' ' CE1' ' A' ' 63' ' ' TYR . . . -72.36 148.53 45.2 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 155.63 88.94 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -55.77 -32.9 86.18 Favored 'Trans proline' 0 N--CA 1.506 2.26 0 C-N-CA 123.428 2.752 . . . . 0.0 113.616 -178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -49.64 55.3 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.504 -0.317 . . . . 0.0 112.463 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.94 -40.38 94.94 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.813 0.845 . . . . 0.0 110.014 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.4 65.23 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.974 1.31 . . . . 0.0 111.071 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.44 83.91 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.591 1.157 . . . . 0.0 111.034 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.13 -44.59 97.1 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.301 0.64 . . . . 0.0 111.048 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 73.4 mt -70.86 -40.47 72.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.6 mt -67.21 -50.91 59.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.93 0.892 . . . . 0.0 111.411 -175.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.481 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 44.6 mt-10 -57.03 -36.54 70.59 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.801 0.841 . . . . 0.0 111.95 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.15 -20.17 74.66 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.327 -0.852 . . . . 0.0 113.442 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 36.5 mmtm -105.89 15.74 26.18 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.881 0.872 . . . . 0.0 111.502 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.7 t30 62.81 39.51 10.7 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.542 1.163 . . . . 0.0 110.033 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.481 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 79.0 m95 55.72 25.9 8.8 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.447 1.899 . . . . 0.0 113.901 -174.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.78 109.35 9.3 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' HB2' HG13 ' A' ' 30' ' ' VAL . 60.3 tp -52.41 -52.02 56.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.457 ' HA ' HD11 ' A' ' 60' ' ' LEU . 5.5 m -64.24 -34.5 78.26 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.432 1.093 . . . . 0.0 112.458 -172.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.15 -33.11 50.48 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.733 0.813 . . . . 0.0 111.187 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -35.19 64.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.514 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 57' ' ' THR . 95.2 mt -60.11 -45.1 94.1 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.993 0.917 . . . . 0.0 109.792 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.2 t -64.48 -38.08 89.77 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.787 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -68.3 -42.26 79.73 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.334 0.654 . . . . 0.0 111.133 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.422 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 69.2 t80 -67.99 -45.83 73.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.649 0.779 . . . . 0.0 111.627 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.9 pt-20 -64.91 -31.49 72.75 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -64.51 -48.48 74.98 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 123.929 0.891 . . . . 0.0 111.645 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 63' ' ' TYR . 4.7 pp -70.04 -18.97 63.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.575 0.35 . . . . 0.0 110.724 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -82.27 -29.2 31.36 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.414 0.686 . . . . 0.0 111.795 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 28.5 mm-40 -76.2 -41.16 50.42 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.607 0.363 . . . . 0.0 110.591 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG13 ' HB1' ' A' ' 72' ' ' ALA . 47.4 t 55.83 83.07 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.582 1.153 . . . . 0.0 110.961 -178.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -91.02 -52.53 4.8 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.238 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.8 p -111.92 -58.91 2.06 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.764 0.826 . . . . 0.0 109.956 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.441 ' HB1' HG13 ' A' ' 69' ' ' VAL . . . 60.6 100.62 0.02 OUTLIER 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.822 1.249 . . . . 0.0 111.021 -174.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -65.38 86.14 0.07 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.745 0.818 . . . . 0.0 110.596 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 2.4 pt? -77.44 132.87 68.42 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.495 178.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.457 ' HB2' HG11 ' A' ' 77' ' ' VAL . 18.9 Cg_exo -66.2 152.4 81.24 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.905 2.403 . . . . 0.0 112.604 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -94.96 11.68 31.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.25 1.02 . . . . 0.0 110.746 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' A' ' 75' ' ' PRO . 7.2 p -81.67 94.71 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 122.01 0.909 . . . . 0.0 109.465 176.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -82.08 107.64 14.94 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -141.22 160.37 40.25 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.115 0.966 . . . . 0.0 109.78 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 66.26 7.86 5.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.734 1.214 . . . . 0.0 113.229 177.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.61 55.48 2.33 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -85.4 -62.3 1.56 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.602 0.761 . . . . 0.0 110.051 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.362 0 CA-C-O 119.019 -0.879 . . . . 0.0 112.659 178.473 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.6 mtt -52.99 -40.3 63.67 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.968 0.907 . . . . 0.0 112.969 -172.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.32 -37.87 74.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.315 0.646 . . . . 0.0 111.36 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.72 76.3 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.214 0.531 . . . . 0.0 111.026 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.49 -35.97 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.414 1.086 . . . . 0.0 110.277 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -65.47 -54.42 28.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.107 0.963 . . . . 0.0 110.463 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -64.22 -43.3 95.4 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.496 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.72 -40.28 88.32 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.702 0.626 . . . . 0.0 110.745 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.94 -53.76 52.89 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.56 -37.18 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.483 1.113 . . . . 0.0 111.614 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -73.39 -33.27 64.92 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.915 1.286 . . . . 0.0 111.344 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.1 t -94.67 -26.27 16.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.791 0.836 . . . . 0.0 111.816 -170.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -110.12 -27.71 9.03 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.09 0.556 . . . . 0.0 111.888 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.12 8.03 82.5 Favored Glycine 0 C--N 1.349 1.25 0 O-C-N 123.192 0.308 . . . . 0.0 113.105 -174.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -75.87 163.55 27.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.805 0.842 . . . . 0.0 110.866 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -79.28 156.28 76.37 Favored Pre-proline 0 CA--C 1.56 1.346 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -62.31 -33.0 81.68 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.249 2.633 . . . . 0.0 113.722 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.41 -48.88 60.35 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD23 ' HB1' ' A' ' 40' ' ' ALA . 58.5 tp -61.28 -39.68 91.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.451 1.1 . . . . 0.0 110.411 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.58 -57.19 14.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.459 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -43.89 68.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.895 1.278 . . . . 0.0 111.541 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.24 -48.38 70.72 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 123.901 0.75 . . . . 0.0 111.035 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 83.8 mt -59.58 -47.42 85.64 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 123.538 0.524 . . . . 0.0 109.929 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.67 -42.31 88.17 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.039 0.936 . . . . 0.0 111.747 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.83 -35.34 77.96 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.476 0.58 . . . . 0.0 110.834 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.57 -13.31 83.59 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 115.709 -0.678 . . . . 0.0 113.303 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -108.17 5.43 25.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 117.422 0.611 . . . . 0.0 111.567 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 66.5 23.06 10.54 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.469 1.128 . . . . 0.0 110.554 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 m95 69.68 19.24 7.35 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.244 1.818 . . . . 0.0 111.629 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.55 102.07 2.15 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.3 tp -51.8 -57.79 8.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.252 1.421 . . . . 0.0 112.054 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -63.34 -33.98 76.7 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.576 0.75 . . . . 0.0 111.788 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.11 92.87 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.455 0.702 . . . . 0.0 110.894 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.97 -42.45 76.6 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.523 0.729 . . . . 0.0 110.827 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.0 mt -58.75 -46.5 87.29 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.698 0.799 . . . . 0.0 109.98 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -69.68 -34.22 73.65 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.812 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.82 -51.2 51.32 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.314 0.646 . . . . 0.0 110.602 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.83 -49.82 76.22 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.405 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.766 -177.663 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -56.26 -38.21 70.85 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.51 -38.93 71.09 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.756 0.422 . . . . 0.0 110.244 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.2 71.42 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.979 0.512 . . . . 0.0 110.826 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.23 -34.19 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 124.103 0.961 . . . . 0.0 110.459 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.48 -48.18 65.13 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.17 0.588 . . . . 0.0 109.611 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -60.79 -46.22 91.35 Favored 'General case' 0 C--O 1.248 0.991 0 C-N-CA 123.71 0.804 . . . . 0.0 110.908 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 -53.15 54.27 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.495 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.25 -57.51 10.9 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 124.029 0.831 . . . . 0.0 111.706 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 40' ' ' ALA . 72.4 t -52.08 -44.74 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 124.063 0.852 . . . . 0.0 110.958 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -72.43 -32.8 66.61 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.598 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -87.88 -11.51 47.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.631 0.773 . . . . 0.0 112.757 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.563 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 47.4 p -118.8 -35.42 3.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.37 21.81 53.29 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.503 -169.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 35' ' ' VAL . . . -79.94 168.59 19.02 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.571 0.748 . . . . 0.0 110.142 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.61 156.53 36.57 Favored Pre-proline 0 N--CA 1.483 1.189 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -60.87 -29.76 88.75 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.111 2.541 . . . . 0.0 113.684 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.59 -52.99 18.25 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.11 -31.3 72.41 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.771 0.829 . . . . 0.0 110.671 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.97 35.82 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.527 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -41.88 70.23 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.261 0.975 . . . . 0.0 110.824 175.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.9 -58.1 9.87 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.983 0.913 . . . . 0.0 111.235 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.0 mt -63.08 -43.53 98.29 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.041 0.838 . . . . 0.0 110.987 -176.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 mt -59.0 -54.59 45.36 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.688 0.795 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -60.31 -32.7 71.47 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.84 0.456 . . . . 0.0 111.658 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.56 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 113.282 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 70.1 mmtt -109.17 12.47 24.98 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 0.0 111.447 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 68.94 37.74 2.19 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.633 1.173 . . . . 0.0 110.968 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 54.74 16.24 1.34 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.972 1.709 . . . . 0.0 114.025 -170.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.44 104.81 3.91 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.7 tp -50.09 -51.12 45.35 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.794 1.308 . . . . 0.0 111.18 -175.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -58.81 -46.47 87.54 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.285 0.99 . . . . 0.0 112.177 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.86 86.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.514 0.725 . . . . 0.0 111.497 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.84 72.57 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.782 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.8 mt -55.78 -49.18 73.88 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.545 0.738 . . . . 0.0 109.21 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.0 m -62.83 -34.06 76.54 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.447 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.36 -40.97 66.93 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.253 0.621 . . . . 0.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.563 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 47.1 t80 -75.05 -41.17 59.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.927 -176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.192 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mtt -61.94 -25.87 67.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -173.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.47 -43.13 70.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.294 0.638 . . . . 0.0 109.899 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.84 77.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.58 0.752 . . . . 0.0 111.464 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 56' ' ' LEU . 77.9 t -65.56 -43.35 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.005 0.922 . . . . 0.0 110.218 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.72 -45.58 82.16 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.277 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -62.9 -42.37 99.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.943 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.2 -39.27 78.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.941 0.775 . . . . 0.0 110.566 -175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.8 -54.95 41.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.446 0.698 . . . . 0.0 109.622 174.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.86 -29.22 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 124.209 1.004 . . . . 0.0 111.542 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -75.73 -33.24 60.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.588 0.755 . . . . 0.0 110.616 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -83.0 -57.74 3.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.398 0.679 . . . . 0.0 110.62 -176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -84.51 -26.82 27.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.103 0.961 . . . . 0.0 111.919 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.28 19.22 78.61 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.981 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.15 165.69 22.21 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.589 0.756 . . . . 0.0 111.676 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.21 136.76 95.63 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 123.615 0.766 . . . . 0.0 109.867 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.08 -30.98 46.67 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.836 2.357 . . . . 0.0 112.998 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.38 83.46 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.82 -47.36 83.77 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.973 0.909 . . . . 0.0 109.924 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.08 71.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.068 -1.423 . . . . 0.0 110.908 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.39 -43.48 79.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.842 1.257 . . . . 0.0 111.488 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.78 -47.37 85.49 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.211 0.604 . . . . 0.0 110.921 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.7 mt -65.46 -36.06 82.78 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.3 -53.33 45.45 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.804 0.842 . . . . 0.0 110.355 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -53.31 -44.06 68.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.788 0.835 . . . . 0.0 111.548 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.06 76.14 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.406 -0.816 . . . . 0.0 113.358 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.7 mmtm -97.67 12.12 34.74 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.369 0.667 . . . . 0.0 111.902 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 70.41 32.19 2.81 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.74 1.216 . . . . 0.0 111.633 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.7 m95 60.32 21.55 11.05 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.018 1.727 . . . . 0.0 112.86 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.85 99.9 1.83 Allowed 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' HB2' HG13 ' A' ' 30' ' ' VAL . 55.9 tp -53.48 -52.25 60.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.408 1.068 . . . . 0.0 111.491 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -63.82 -36.8 85.11 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 124.032 0.832 . . . . 0.0 111.979 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.91 73.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.65 0.78 . . . . 0.0 111.271 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -34.73 60.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.833 0.453 . . . . 0.0 111.055 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.54 -46.28 90.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.672 0.789 . . . . 0.0 109.464 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -64.12 -30.98 72.01 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.18 0.925 . . . . 0.0 111.639 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.85 -42.72 57.42 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.642 0.777 . . . . 0.0 110.989 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.07 -45.97 72.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.757 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.12 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -38.81 66.07 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.57 0.748 . . . . 0.0 112.726 -173.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -40.69 83.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.862 0.865 . . . . 0.0 111.023 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.94 -47.95 67.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.684 0.794 . . . . 0.0 111.138 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.61 -37.71 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 123.969 0.907 . . . . 0.0 110.626 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.17 -49.89 68.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.524 0.73 . . . . 0.0 110.545 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.1 t -64.15 -42.26 96.84 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.949 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -75.51 -29.79 59.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.434 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.74 -59.43 5.17 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.37 -32.31 44.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 124.765 1.226 . . . . 0.0 111.509 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -64.39 -43.52 94.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.715 1.206 . . . . 0.0 110.946 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -86.67 -27.55 23.7 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.617 0.767 . . . . 0.0 112.39 -173.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -106.54 -29.59 9.57 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.242 0.617 . . . . 0.0 112.055 -170.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.55 71.75 Favored Glycine 0 C--N 1.344 0.993 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.654 -170.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 164.72 26.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.985 0.914 . . . . 0.0 111.949 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.24 153.89 62.91 Favored Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 170.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -58.44 -38.21 91.26 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.985 2.457 . . . . 0.0 113.18 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.81 -50.71 45.8 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.37 0.418 . . . . 0.0 113.131 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 62.3 tp -57.69 -45.13 86.05 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.168 0.987 . . . . 0.0 110.643 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.33 -57.57 12.07 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.811 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.71 -37.8 82.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.32 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.68 -48.19 81.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.705 0.802 . . . . 0.0 110.819 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 87.4 mt -66.89 -38.11 85.67 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.298 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.52 -47.03 85.69 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.563 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.2 mt-10 -58.84 -35.12 72.41 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.156 0.434 . . . . 0.0 111.779 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.43 73.63 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 115.802 -0.635 . . . . 0.0 113.065 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.9 mmtm -100.11 14.21 31.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.96 34.97 19.23 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.988 0.899 . . . . 0.0 111.435 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.9 m95 58.5 24.18 11.59 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.414 1.886 . . . . 0.0 113.018 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.15 116.92 18.96 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.09 -57.91 9.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.022 1.329 . . . . 0.0 110.584 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 m -53.08 -44.68 67.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.996 1.318 . . . . 0.0 111.971 -173.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.09 -51.38 69.39 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.105 0.962 . . . . 0.0 111.062 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.1 74.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.909 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.65 -46.21 90.75 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.31 0.644 . . . . 0.0 109.578 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -67.7 -31.24 71.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.239 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 37.5 t70 -70.94 -47.42 59.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.584 0.754 . . . . 0.0 110.383 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -55.84 -53.5 56.0 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.696 1.198 . . . . 0.0 111.379 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.468 0.459 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.047 -176.298 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--O 1.235 0.303 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.45 -36.6 44.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.475 0.71 . . . . 0.0 111.817 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.44 -41.36 76.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 0.0 111.484 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.37 72.46 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.949 0.5 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.98 -40.57 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.847 0.859 . . . . 0.0 110.088 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -63.82 -40.9 97.72 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.007 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -65.51 -52.94 49.05 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.328 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.99 -38.54 91.28 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.086 0.866 . . . . 0.0 110.96 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.79 -54.35 47.33 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.206 0.316 . . . . 0.0 110.556 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.74 -36.74 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.019 0.928 . . . . 0.0 111.265 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.66 -33.25 70.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.446 1.498 . . . . 0.0 112.197 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.7 m -87.94 -53.41 4.75 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.087 0.555 . . . . 0.0 111.549 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -83.82 -28.17 28.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.911 0.885 . . . . 0.0 111.882 -172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.55 9.93 80.53 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 116.335 -0.393 . . . . 0.0 113.277 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.38 165.97 24.28 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.598 0.759 . . . . 0.0 110.831 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.4 157.64 67.46 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.94 -36.1 95.24 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.146 2.564 . . . . 0.0 113.574 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.9 53.37 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.115 0.259 . . . . 0.0 112.981 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.15 -39.79 94.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.994 0.917 . . . . 0.0 110.301 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.45 47.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.356 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -43.61 81.13 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.214 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.41 -50.33 73.33 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.861 0.726 . . . . 0.0 111.181 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.9 mt -65.11 -46.54 80.63 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.946 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.77 -30.47 71.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.526 0.73 . . . . 0.0 112.076 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.84 -37.65 88.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.051 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.2 -27.33 64.24 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.67 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.1 mmtt -97.41 6.86 47.58 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 117.759 0.78 . . . . 0.0 111.442 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 62.9 25.56 15.13 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 124.387 1.075 . . . . 0.0 110.311 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 72.9 24.91 2.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.587 1.955 . . . . 0.0 112.092 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.6 107.45 6.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.79 -54.88 32.06 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.621 1.201 . . . . 0.0 111.033 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -62.94 -40.39 97.49 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.962 0.905 . . . . 0.0 112.024 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.76 80.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.265 0.626 . . . . 0.0 111.229 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.41 68.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.155 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.08 -45.55 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.317 0.647 . . . . 0.0 109.819 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.1 m -69.4 -34.29 74.29 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.308 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.43 -49.64 62.83 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.605 0.762 . . . . 0.0 110.542 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -64.48 -44.19 91.79 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.478 0.945 0 C-N-CA 122.291 0.236 . . . . 0.0 110.569 179.588 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -52.79 -42.45 65.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.27 -40.75 81.78 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.147 0.579 . . . . 0.0 111.116 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.89 67.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.32 0.648 . . . . 0.0 111.751 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.8 -35.69 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 124.224 1.01 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.7 -49.79 73.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.671 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -64.12 -38.57 91.54 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.267 -178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.84 -48.63 68.26 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.679 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.63 -53.69 55.47 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.059 0.849 . . . . 0.0 110.741 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.18 -37.13 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.767 0.827 . . . . 0.0 111.694 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -71.1 -39.23 72.23 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.707 0.803 . . . . 0.0 111.181 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.8 m -82.72 -26.19 32.21 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.455 0.702 . . . . 0.0 112.297 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -112.51 -35.03 5.67 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.936 0.494 . . . . 0.0 111.844 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.28 6.57 74.34 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.862 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.88 49.15 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.301 0.641 . . . . 0.0 110.093 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.01 157.29 90.15 Favored Pre-proline 0 CA--C 1.556 1.192 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.53 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.34 -32.4 88.32 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 123.123 2.549 . . . . 0.0 113.557 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.06 -50.35 34.84 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 116.653 -0.249 . . . . 0.0 112.68 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.14 -42.34 98.37 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.934 0.894 . . . . 0.0 110.146 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.81 53.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.925 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.97 -38.58 70.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.234 0.959 . . . . 0.0 111.658 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.86 -49.46 68.06 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.494 0.496 . . . . 0.0 110.36 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 69.2 mt -65.27 -40.39 93.85 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.455 0.472 . . . . 0.0 110.083 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.37 -49.33 72.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.922 0.889 . . . . 0.0 111.489 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 64.8 mt-10 -64.51 -27.24 68.83 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.386 0.539 . . . . 0.0 111.787 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.52 -22.72 78.82 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.908 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.1 mmtm -107.91 15.99 23.9 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.619 0.768 . . . . 0.0 112.44 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.46 24.57 14.63 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.238 1.015 . . . . 0.0 111.586 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.426 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 91.8 m95 73.98 15.09 3.86 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.59 1.956 . . . . 0.0 113.145 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -70.44 115.27 9.43 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 168.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 tp -54.84 -50.16 69.32 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.932 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -61.23 -47.89 83.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.756 0.823 . . . . 0.0 112.385 -172.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.74 80.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.528 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.31 -37.73 63.52 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.556 0.535 . . . . 0.0 111.535 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -49.45 76.66 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.352 0.661 . . . . 0.0 109.917 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -66.07 -31.32 72.12 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.94 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 31.8 t70 -67.66 -49.44 62.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.492 0.717 . . . . 0.0 110.621 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -58.87 -44.77 91.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 111.049 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.547 0.837 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -52.84 -41.61 64.41 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.858 0.863 . . . . 0.0 112.463 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.09 -43.55 86.96 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.643 0.589 . . . . 0.0 110.683 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.1 71.32 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.328 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.08 -41.2 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.897 0.879 . . . . 0.0 110.62 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -64.25 -51.7 62.32 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.47 0.708 . . . . 0.0 110.259 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -64.63 -41.09 96.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.888 0.742 . . . . 0.0 111.352 -177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.4 -46.42 80.1 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.835 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.09 -53.62 56.05 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.002 0.814 . . . . 0.0 110.691 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.5 -38.94 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 124.17 0.919 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -74.62 -32.76 62.41 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.133 0.973 . . . . 0.0 111.001 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -83.0 -33.01 26.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.829 0.851 . . . . 0.0 112.402 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -108.53 -25.32 10.98 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.14 14.54 80.35 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 123.44 0.463 . . . . 0.0 113.119 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -77.48 161.28 28.06 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.264 0.626 . . . . 0.0 110.505 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.03 157.83 75.58 Favored Pre-proline 0 CA--C 1.56 1.337 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.32 -35.03 86.28 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.146 2.564 . . . . 0.0 113.371 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.44 28.29 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.273 0.358 . . . . 0.0 112.747 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.443 HD23 ' HB1' ' A' ' 40' ' ' ALA . 51.9 tp -55.15 -45.86 75.68 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.64 1.176 . . . . 0.0 111.087 175.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.88 41.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.844 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 2.3 tmt_? -59.51 -43.22 93.46 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.644 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.79 -48.36 72.8 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.781 0.832 . . . . 0.0 110.928 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 72.7 mt -59.58 -46.88 87.62 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 109.666 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.87 -24.34 66.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.194 0.998 . . . . 0.0 112.528 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 9.4 mm-40 -64.48 -36.0 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.841 0.456 . . . . 0.0 109.871 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.52 -5.33 61.77 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.488 -0.778 . . . . 0.0 113.448 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 71.0 mmtt -107.59 6.14 27.63 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.541 0.736 . . . . 0.0 111.897 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 63.14 22.87 13.63 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.039 0.935 . . . . 0.0 110.75 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 62.28 21.98 12.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.387 1.475 . . . . 0.0 112.422 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.75 108.72 7.68 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 168.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -53.19 -51.46 62.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.55 1.14 . . . . 0.0 111.111 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -61.96 -36.68 82.17 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.214 1.006 . . . . 0.0 111.758 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.18 79.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.391 0.676 . . . . 0.0 110.795 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.95 69.96 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.192 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.98 -44.46 96.68 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.705 0.628 . . . . 0.0 109.872 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.8 t -64.95 -37.38 87.47 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.26 0.975 . . . . 0.0 110.813 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.35 -47.78 72.34 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.591 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -65.79 -48.05 73.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.052 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 122.397 0.279 . . . . 0.0 110.613 -178.21 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -54.09 -37.32 64.12 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.515 0.726 . . . . 0.0 112.367 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.58 -41.13 84.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.226 0.61 . . . . 0.0 110.623 -176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.66 75.63 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.246 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.07 -38.08 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.014 0.926 . . . . 0.0 110.769 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -65.45 -50.7 64.39 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.814 0.845 . . . . 0.0 109.511 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -64.17 -41.56 97.07 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.866 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -46.93 84.87 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.361 0.664 . . . . 0.0 109.288 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HA ' HD21 ' A' ' 60' ' ' LEU . 44.7 t80 -56.08 -60.01 4.1 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.999 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.81 -40.08 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 124.321 1.049 . . . . 0.0 111.851 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -70.66 -31.41 68.32 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.763 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.6 p -93.38 -34.88 13.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 75.1 p -88.92 -33.73 17.18 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.44 0.696 . . . . 0.0 112.0 -172.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.22 9.09 86.48 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.841 -171.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.53 146.42 34.32 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.513 0.725 . . . . 0.0 109.128 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -69.07 156.81 90.8 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -57.0 -31.18 89.24 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 C-N-CA 123.01 2.473 . . . . 0.0 113.51 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.7 79.94 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.107 0.254 . . . . 0.0 113.093 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.65 -39.75 80.54 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.83 0.852 . . . . 0.0 109.893 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.47 67.67 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -58.07 -45.88 86.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.245 0.966 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.12 -49.51 66.38 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.722 0.809 . . . . 0.0 111.376 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 93.8 mt -65.29 -48.2 73.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.211 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.75 -24.36 66.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.848 0.859 . . . . 0.0 112.097 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.64 -40.64 69.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.95 -15.73 80.8 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-N 115.365 -0.834 . . . . 0.0 113.79 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -110.93 12.64 22.19 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 117.505 0.653 . . . . 0.0 111.739 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 64.73 23.0 12.68 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.176 0.99 . . . . 0.0 111.495 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.2 m95 64.83 19.22 11.78 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.626 1.57 . . . . 0.0 112.034 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.76 96.98 2.12 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 tp -49.22 -49.81 41.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 124.867 1.354 . . . . 0.0 111.454 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.4 m -61.19 -41.41 96.77 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.857 0.863 . . . . 0.0 111.66 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.22 91.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.458 0.703 . . . . 0.0 110.955 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -73.61 -42.69 61.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.41 0.684 . . . . 0.0 111.813 -177.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 34' ' ' PHE . 85.1 mt -61.04 -49.07 78.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.735 0.814 . . . . 0.0 110.146 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.2 t -71.2 -26.03 62.77 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.272 0.983 . . . . 0.0 111.101 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.3 -44.11 63.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 84.1 t80 -63.28 -51.64 65.28 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 124.421 1.076 . . . . 0.0 110.914 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.469 0.506 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.407 -177.496 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -44.64 67.02 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.819 0.848 . . . . 0.0 112.541 -176.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.23 -39.34 92.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.47 0.708 . . . . 0.0 111.013 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.39 -43.62 69.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.2 0.6 . . . . 0.0 111.289 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 56' ' ' LEU . 67.0 t -67.1 -36.56 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.735 0.814 . . . . 0.0 110.131 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.82 -45.09 87.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.811 0.844 . . . . 0.0 109.987 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 t -67.97 -43.18 79.59 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.747 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -38.33 84.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 111.31 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -62.15 -59.3 5.26 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.617 0.573 . . . . 0.0 109.457 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.87 -40.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 124.118 0.967 . . . . 0.0 111.785 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttp-105 -65.93 -43.01 89.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.629 0.772 . . . . 0.0 111.008 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -80.54 -35.97 33.74 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.33 0.652 . . . . 0.0 111.853 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -94.58 -25.56 16.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.762 0.825 . . . . 0.0 111.72 -173.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.03 23.81 75.3 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.081 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.89 173.16 12.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.56 0.744 . . . . 0.0 111.641 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.3 155.85 42.23 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -60.8 -34.94 90.84 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.419 2.746 . . . . 0.0 113.188 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.79 -50.86 33.07 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 123.288 0.367 . . . . 0.0 112.499 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.7 -43.8 93.93 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.221 1.008 . . . . 0.0 110.731 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.96 39.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.247 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -42.72 81.22 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.449 1.1 . . . . 0.0 111.092 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.61 -52.13 66.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.134 0.973 . . . . 0.0 110.864 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 86.5 mt -64.3 -42.83 96.16 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.31 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.85 -48.81 80.05 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.292 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -56.19 -38.85 71.51 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 123.382 0.673 . . . . 0.0 112.285 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.52 -20.67 72.0 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.387 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 65.7 mmtt -106.95 13.75 27.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.907 0.883 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 63.9 37.57 9.45 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.528 1.156 . . . . 0.0 109.817 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 55.6 23.02 5.68 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.99 1.716 . . . . 0.0 113.468 -175.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.91 115.31 17.55 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.0 tp -55.3 -47.44 75.56 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.38 1.05 . . . . 0.0 111.31 -177.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.6 m -64.37 -46.08 84.93 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.177 0.991 . . . . 0.0 112.077 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.33 72.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.869 0.867 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.77 -38.14 64.77 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.521 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.1 mt -61.33 -46.37 90.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.451 0.7 . . . . 0.0 109.702 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m -62.7 -35.66 80.44 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.4 -37.55 63.35 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.411 0.685 . . . . 0.0 110.817 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -67.44 -49.52 63.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 122.706 0.403 . . . . 0.0 110.57 -179.421 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.461 0.106 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.1 mtt -62.6 -21.98 66.04 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.086 0.954 . . . . 0.0 113.457 -171.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.74 -52.99 20.58 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.13 73.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.638 0.775 . . . . 0.0 112.482 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -73.65 -39.79 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.739 0.816 . . . . 0.0 109.937 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.96 -51.64 63.4 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -50.4 -49.29 54.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.548 1.539 . . . . 0.0 112.223 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.1 -48.6 51.37 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.867 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.59 -50.2 73.91 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.766 0.666 . . . . 0.0 110.751 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.1 -47.13 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.603 0.761 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -73.9 -29.44 62.07 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.066 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -77.5 -54.63 6.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.316 0.646 . . . . 0.0 110.786 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.489 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 70.9 p -85.67 -30.17 23.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.53 60.7 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.556 -174.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 144.92 30.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.421 0.688 . . . . 0.0 110.03 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.35 157.85 89.21 Favored Pre-proline 0 N--CA 1.483 1.205 0 CA-C-O 118.478 -0.772 . . . . 0.0 108.964 -175.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -59.63 -32.21 95.58 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 123.2 2.6 . . . . 0.0 113.531 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.48 -52.49 30.33 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.32 -33.69 76.06 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.033 0.933 . . . . 0.0 110.536 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -56.68 9.35 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.699 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.37 -39.42 67.17 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.432 1.083 . . . . 0.0 110.658 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 -49.07 77.34 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.632 0.773 . . . . 0.0 111.402 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.44 -35.29 70.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.125 0.57 . . . . 0.0 110.791 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.9 mt -63.73 -52.25 61.32 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.734 0.814 . . . . 0.0 110.143 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -63.96 -24.19 67.63 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.904 0.481 . . . . 0.0 111.658 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.11 -27.15 74.1 Favored Glycine 0 C--N 1.35 1.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.895 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 46.4 mmtm -105.93 13.63 29.12 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.361 1.064 . . . . 0.0 112.414 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.7 36.38 3.64 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 124.252 1.021 . . . . 0.0 110.318 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.474 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 75.7 m95 60.22 14.59 4.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.231 1.812 . . . . 0.0 113.958 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.96 110.95 6.8 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 tp -52.9 -49.75 65.29 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 m -60.14 -48.6 81.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.161 0.985 . . . . 0.0 111.939 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.1 72.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.79 67.75 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.336 0.398 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.55 -52.82 63.83 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.718 0.807 . . . . 0.0 109.071 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.1 t -56.48 -42.17 77.82 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 124.898 1.374 . . . . 0.0 111.129 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.428 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 16.3 t70 -61.5 -57.55 11.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.489 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 58.6 t80 -61.58 -46.53 89.49 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.753 0.658 . . . . 0.0 110.701 -176.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.473 0.721 0 O-C-N 123.384 0.427 . . . . 0.0 111.291 -175.545 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -53.19 -37.5 62.0 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.262 1.025 . . . . 0.0 112.577 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.55 -44.82 77.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.146 0.579 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.68 82.06 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.455 . . . . 0.0 111.085 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.1 -38.28 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.463 1.105 . . . . 0.0 110.701 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.62 -50.56 62.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.099 0.56 . . . . 0.0 109.573 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -60.7 -41.01 94.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.819 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.89 -45.53 74.18 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.584 0.754 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.32 -55.85 29.66 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.798 0.686 . . . . 0.0 109.937 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.09 -39.26 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.05 0.94 . . . . 0.0 111.473 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -74.13 -33.39 63.53 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.019 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -78.55 -52.82 7.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.478 0.711 . . . . 0.0 110.848 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.4 p -82.53 -35.55 27.16 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.785 0.834 . . . . 0.0 111.277 -172.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.4 5.03 76.26 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.575 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.509 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -75.65 161.92 28.69 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.818 0.847 . . . . 0.0 111.079 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.15 157.16 85.43 Favored Pre-proline 0 N--CA 1.487 1.423 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.847 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.01 -29.8 66.43 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 123.003 2.469 . . . . 0.0 113.814 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.66 47.89 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD23 ' HB1' ' A' ' 40' ' ' ALA . 62.2 tp -63.7 -41.12 98.15 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.195 0.998 . . . . 0.0 109.82 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -54.55 45.16 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -39.49 78.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.533 1.133 . . . . 0.0 111.565 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.94 -47.19 86.02 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.679 0.791 . . . . 0.0 110.864 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.9 mt -69.63 -43.05 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.236 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.19 -56.68 17.96 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.879 0.872 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 87.3 mt-10 -59.68 -29.97 68.45 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.368 0.667 . . . . 0.0 112.193 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.65 92.3 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.638 172.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -99.81 16.32 24.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.28 1.032 . . . . 0.0 111.965 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t30 63.56 44.18 5.38 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.145 0.978 . . . . 0.0 110.405 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 92.4 m95 53.22 20.5 1.87 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.966 1.706 . . . . 0.0 114.459 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.39 102.85 3.86 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -49.9 -50.84 44.63 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.778 1.299 . . . . 0.0 111.279 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -63.11 -42.75 99.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.887 0.875 . . . . 0.0 111.732 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.3 74.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.56 0.744 . . . . 0.0 111.513 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.24 -37.85 66.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.475 0.484 . . . . 0.0 111.002 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.69 -47.05 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.481 0.712 . . . . 0.0 109.489 173.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 m -63.27 -34.09 76.91 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.18 -52.15 37.63 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.604 0.762 . . . . 0.0 110.469 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.26 -48.14 81.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.046 0.938 . . . . 0.0 111.114 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.474 0.754 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.61 179.508 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.5 t70 . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 mtt -54.79 -34.52 62.77 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.897 0.879 . . . . 0.0 112.734 -174.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -65.31 -46.47 80.22 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.822 0.449 . . . . 0.0 110.347 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.92 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.156 0.582 . . . . 0.0 111.673 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' ASP . 96.4 t -69.9 -45.35 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.516 0.726 . . . . 0.0 110.465 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.14 -47.82 69.9 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.448 0.699 . . . . 0.0 110.661 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.4 t -62.54 -45.51 92.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.689 0.796 . . . . 0.0 111.544 -177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.46 -46.13 87.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.131 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.38 -57.96 10.6 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.968 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.52 -41.37 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 124.454 1.102 . . . . 0.0 111.452 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -67.01 -39.02 86.98 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.047 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.6 m -87.59 -42.42 12.73 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.085 0.554 . . . . 0.0 112.19 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -87.86 -28.83 21.35 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.613 0.765 . . . . 0.0 111.857 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.04 13.98 76.06 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.938 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.6 154.28 28.84 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.472 0.709 . . . . 0.0 110.548 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.94 159.14 83.61 Favored Pre-proline 0 CA--C 1.557 1.223 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -57.35 -35.05 98.86 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.058 2.505 . . . . 0.0 113.522 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -48.65 26.7 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.403 -0.362 . . . . 0.0 113.022 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.25 -43.15 99.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.931 0.892 . . . . 0.0 110.157 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.91 14.93 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.982 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.96 -42.27 68.74 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.53 177.087 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.34 -48.33 80.27 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 123.892 0.745 . . . . 0.0 111.16 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -66.78 -34.19 77.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.85 0.46 . . . . 0.0 110.207 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -42.46 96.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.519 175.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 55.3 mt-10 -60.56 -33.7 73.08 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 122.649 0.379 . . . . 0.0 111.32 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.88 -23.57 75.81 Favored Glycine 0 C--N 1.349 1.25 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.515 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 41.1 mmtm -109.24 9.14 25.98 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.512 0.725 . . . . 0.0 112.504 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 58.43 40.19 24.4 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 123.016 1.388 . . . . 0.0 110.239 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.0 m95 60.37 30.85 20.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.931 2.092 . . . . 0.0 113.461 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.46 118.1 19.57 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.21 -58.29 8.93 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.903 . . . . 0.0 110.861 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -62.84 -40.1 96.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.741 0.816 . . . . 0.0 112.316 -171.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.69 83.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.587 0.755 . . . . 0.0 111.237 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.2 63.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.67 -43.18 94.09 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.092 0.557 . . . . 0.0 109.589 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.8 m -70.53 -29.4 65.88 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.326 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.596 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.8 t70 -69.8 -50.26 44.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.624 0.77 . . . . 0.0 110.816 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -61.06 -49.49 77.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 110.926 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.476 0.831 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.798 -179.677 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.1 t70 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.3 -45.8 72.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.822 0.849 . . . . 0.0 112.415 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.58 -34.2 71.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.527 0.731 . . . . 0.0 110.741 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.57 70.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.171 0.588 . . . . 0.0 111.308 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ASP . 59.3 t -68.69 -41.02 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.183 0.593 . . . . 0.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.64 -44.46 90.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.063 0.945 . . . . 0.0 110.329 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.1 t -65.83 -47.12 76.07 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.748 0.655 . . . . 0.0 110.352 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.16 -40.83 98.68 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.158 0.911 . . . . 0.0 110.593 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.475 ' HZ ' ' HB2' ' A' ' 63' ' ' TYR . 86.3 t80 -63.19 -51.92 64.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 123.923 0.764 . . . . 0.0 110.693 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 40' ' ' ALA . 71.3 t -64.07 -30.96 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.326 0.65 . . . . 0.0 110.807 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -73.94 -30.02 62.32 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.488 1.115 . . . . 0.0 111.389 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.2 p -91.82 -59.11 2.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.219 0.608 . . . . 0.0 111.176 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -76.73 -26.31 54.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.829 0.851 . . . . 0.0 112.281 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.2 21.74 69.73 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.413 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 35' ' ' VAL . . . -70.42 169.9 13.05 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.007 0.923 . . . . 0.0 111.606 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 5.4 pt-20 -85.53 156.31 59.15 Favored Pre-proline 0 CA--C 1.563 1.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 175.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -59.25 -39.8 74.7 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 123.138 2.559 . . . . 0.0 113.683 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.97 -48.7 38.97 Favored Glycine 0 C--N 1.348 1.224 0 O-C-N 123.511 0.507 . . . . 0.0 113.376 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 58.7 tp -58.03 -45.71 86.52 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.121 0.968 . . . . 0.0 110.19 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -55.42 32.93 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.095 0.958 . . . . 0.0 111.636 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.92 -37.35 73.91 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.368 1.067 . . . . 0.0 111.356 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.47 -44.17 97.04 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.875 0.87 . . . . 0.0 110.589 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 14.0 mt -71.01 -39.45 72.38 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.67 -45.75 88.7 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.206 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.42 -25.22 66.65 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.438 0.563 . . . . 0.0 111.089 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.48 3.73 86.29 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-O 119.818 -0.434 . . . . 0.0 113.316 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.669 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 40.9 mmtm -132.4 13.02 4.58 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.177 0.991 . . . . 0.0 112.082 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 t30 64.9 24.72 12.74 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 122.262 1.03 . . . . 0.0 110.564 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.5 m95 67.87 24.38 8.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.904 2.082 . . . . 0.0 111.448 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -79.88 112.84 17.56 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.423 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 62.3 tp -54.44 -49.67 69.47 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.645 1.216 . . . . 0.0 111.623 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 m -62.22 -40.96 97.86 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.318 1.047 . . . . 0.0 111.709 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 52' ' ' LYS . . . -74.11 -31.8 62.93 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.341 1.056 . . . . 0.0 110.881 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.6 69.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 94.1 mt -61.04 -45.63 94.0 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.804 0.841 . . . . 0.0 109.281 174.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 m -62.72 -38.63 91.26 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.227 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.669 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.4 t70 -67.8 -42.51 81.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.861 0.864 . . . . 0.0 110.842 -178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.475 ' HB2' ' HZ ' ' A' ' 34' ' ' PHE . 78.7 t80 -65.48 -52.76 50.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.255 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.48 1.052 0 O-C-N 123.768 0.667 . . . . 0.0 110.935 -178.207 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 67.2 mtt -59.21 -42.44 90.98 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.885 0.874 . . . . 0.0 112.271 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.18 -42.97 79.18 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.847 0.459 . . . . 0.0 110.396 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.29 99.19 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.923 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.11 -43.44 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 C-N-CA 123.502 0.721 . . . . 0.0 111.309 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.34 -50.65 70.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.242 0.617 . . . . 0.0 110.423 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -67.37 -40.87 85.76 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.166 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.18 -29.66 61.86 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.013 0.525 . . . . 0.0 110.294 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.81 -53.57 48.78 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.09 -36.23 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.038 0.935 . . . . 0.0 111.22 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -63.34 -35.96 82.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.141 1.377 . . . . 0.0 111.616 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -85.29 -47.91 9.59 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.538 0.735 . . . . 0.0 111.562 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -93.58 -33.92 13.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.87 0.868 . . . . 0.0 112.248 -166.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.72 20.28 64.02 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.503 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.84 157.7 36.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.489 0.716 . . . . 0.0 110.703 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.02 157.07 83.83 Favored Pre-proline 0 CA--C 1.561 1.377 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -57.88 -39.34 87.54 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 123.085 2.524 . . . . 0.0 113.351 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -48.72 67.55 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.829 0.705 . . . . 0.0 112.842 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.92 -42.18 97.46 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.439 1.096 . . . . 0.0 110.739 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -54.79 41.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.054 0.942 . . . . 0.0 110.71 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -39.4 88.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.542 1.137 . . . . 0.0 111.121 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.75 -45.24 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.054 0.941 . . . . 0.0 110.915 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.1 mt -67.13 -41.63 85.84 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.001 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.49 -33.5 75.22 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.053 -176.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -66.48 -28.0 68.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.475 0.579 . . . . 0.0 111.017 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.37 -13.87 77.71 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.429 0.456 . . . . 0.0 113.005 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 72.3 mmtt -112.37 6.63 18.85 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.438 0.695 . . . . 0.0 112.374 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t30 64.75 25.93 13.0 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.165 0.986 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 71.08 19.05 5.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.3 119.03 18.85 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.98 -52.35 65.78 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.291 0.994 . . . . 0.0 110.722 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.9 m -61.74 -40.54 95.44 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.339 1.024 . . . . 0.0 111.959 -172.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.58 90.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.833 0.853 . . . . 0.0 110.864 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -37.76 63.42 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.638 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.6 -46.16 91.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.55 0.74 . . . . 0.0 109.726 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 t -64.05 -33.78 76.54 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.961 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -73.1 -40.7 64.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.523 0.729 . . . . 0.0 111.654 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.79 -47.49 74.98 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.679 0.391 . . . . 0.0 110.924 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.548 0.892 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 177.2 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtt -57.53 -33.46 68.11 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.894 0.878 . . . . 0.0 112.054 -173.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.81 -45.67 88.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.393 0.677 . . . . 0.0 110.651 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.49 76.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.277 0.631 . . . . 0.0 111.493 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.92 -34.96 71.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 123.243 0.617 . . . . 0.0 110.28 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.17 -50.73 52.57 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.282 1.033 . . . . 0.0 110.936 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -65.41 -45.98 81.79 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.534 0.734 . . . . 0.0 111.143 -173.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.16 -34.89 78.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.607 0.763 . . . . 0.0 111.579 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.31 -57.4 11.51 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.529 0.332 . . . . 0.0 110.412 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -43.77 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.317 1.047 . . . . 0.0 111.34 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -68.62 -33.15 73.53 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.578 0.751 . . . . 0.0 111.852 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 t -81.02 -50.9 9.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.94 0.496 . . . . 0.0 111.288 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 68.3 p -85.92 -30.8 22.55 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.774 0.83 . . . . 0.0 112.133 -169.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.34 19.55 62.16 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.539 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.73 159.25 28.04 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.345 0.658 . . . . 0.0 111.15 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -86.58 155.59 56.45 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.49 -41.28 79.51 Favored 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 123.497 2.798 . . . . 0.0 113.767 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.03 -48.34 48.23 Favored Glycine 0 C--N 1.345 1.078 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.774 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 tp -59.85 -45.39 92.58 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.696 0.798 . . . . 0.0 110.417 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.2 -57.87 10.72 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.449 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -39.18 93.99 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.406 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.8 -39.58 93.82 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.354 0.662 . . . . 0.0 110.827 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.7 mt -66.61 -47.19 73.47 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.237 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.0 -42.41 85.1 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.119 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.01 -39.83 87.17 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.866 0.303 . . . . 0.0 111.087 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.59 -21.08 79.81 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.336 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' A' ' 59' ' ' ALA . 11.1 mmpt? -100.35 18.04 19.93 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.1 t30 63.22 22.34 13.3 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.413 1.085 . . . . 0.0 111.286 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.6 m95 56.02 28.57 12.98 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.466 1.906 . . . . 0.0 112.481 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.22 115.26 23.66 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 65.3 tp -54.79 -50.52 68.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.246 1.018 . . . . 0.0 111.482 -176.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.9 m -62.66 -36.77 83.93 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.534 0.733 . . . . 0.0 111.518 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.44 92.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.546 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.529 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -71.89 -37.78 70.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.575 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 91.8 mt -61.17 -47.5 85.89 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.27 0.628 . . . . 0.0 109.369 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 t -64.19 -42.05 96.82 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.808 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 24.9 t70 -71.82 -44.89 63.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.856 0.463 . . . . 0.0 110.711 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 80.1 t80 -59.62 -52.07 67.1 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.793 0.683 . . . . 0.0 110.285 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.35 0.625 0 O-C-N 123.697 0.623 . . . . 0.0 110.205 -175.419 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.466 0.366 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.9 mtt -52.96 -35.37 58.8 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.128 0.971 . . . . 0.0 113.26 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.09 -45.2 67.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.179 0.591 . . . . 0.0 110.188 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.64 82.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.259 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -70.98 -37.92 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.471 1.108 . . . . 0.0 110.597 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.3 -49.97 69.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.229 0.612 . . . . 0.0 110.074 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.8 t -67.14 -38.49 85.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.112 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.71 -40.57 66.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.37 0.668 . . . . 0.0 110.078 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.47 -54.21 49.4 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.585 0.553 . . . . 0.0 109.557 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.65 -37.0 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.451 1.1 . . . . 0.0 111.545 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -74.17 -34.71 63.88 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.943 0.897 . . . . 0.0 111.588 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 m -87.0 -37.66 17.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.173 0.589 . . . . 0.0 111.785 -175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 p -96.15 -28.75 14.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.706 0.802 . . . . 0.0 111.558 -172.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 7.31 87.97 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.518 -173.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -74.87 154.02 38.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 109.94 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.19 158.79 81.46 Favored Pre-proline 0 CA--C 1.554 1.101 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.73 -30.3 84.74 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.987 2.458 . . . . 0.0 113.394 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -47.96 31.36 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.597 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 48.0 tp -62.46 -43.01 99.85 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.861 0.864 . . . . 0.0 110.093 176.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.85 16.95 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.311 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -55.64 -40.83 72.71 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.601 1.16 . . . . 0.0 111.227 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.35 -48.95 78.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.462 0.705 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 55.6 mt -69.39 -39.5 77.94 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.693 0.62 . . . . 0.0 110.216 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.15 -51.16 70.21 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.003 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG2' ' HE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -58.8 -34.54 71.6 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.107 0.563 . . . . 0.0 111.603 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.81 -22.74 78.26 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.617 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.642 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 44.6 mmtm -107.54 19.61 19.98 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.862 0.865 . . . . 0.0 112.734 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.75 31.74 14.07 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 122.714 1.245 . . . . 0.0 110.095 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.409 ' HE1' ' HG2' ' A' ' 50' ' ' GLU . 60.8 m95 57.32 18.3 4.25 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 126.498 1.919 . . . . 0.0 113.756 -175.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.83 112.31 12.09 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.5 -46.21 69.95 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.379 1.049 . . . . 0.0 111.377 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -62.21 -44.78 95.81 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.148 0.979 . . . . 0.0 111.875 -171.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.62 68.16 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.132 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.78 -35.15 64.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.294 0.638 . . . . 0.0 111.507 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.61 0.764 . . . . 0.0 109.689 175.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 t -73.55 -28.49 61.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.642 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 36.2 t70 -68.62 -46.52 69.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.404 0.682 . . . . 0.0 109.859 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.4 -51.22 70.29 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.067 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 N--CA 1.491 1.622 0 C-N-CA 122.753 0.421 . . . . 0.0 110.619 -177.347 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -55.83 -41.47 74.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.843 0.857 . . . . 0.0 112.653 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.78 -40.42 91.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.86 0.864 . . . . 0.0 111.25 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.22 71.31 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.971 0.508 . . . . 0.0 110.872 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 56' ' ' LEU . 71.5 t -65.16 -33.91 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.474 1.11 . . . . 0.0 111.123 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -60.71 -46.79 89.06 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.759 173.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -65.86 -40.28 91.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.016 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.0 -47.16 86.98 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.531 0.733 . . . . 0.0 110.346 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.94 -59.18 5.79 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.644 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.1 t -55.8 -37.08 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.962 0.905 . . . . 0.0 111.837 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.67 -30.61 65.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.894 0.877 . . . . 0.0 111.253 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 m -89.64 -34.5 16.27 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.401 0.68 . . . . 0.0 112.225 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -102.7 -26.42 13.18 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.537 0.735 . . . . 0.0 112.308 -168.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.09 78.73 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.891 -173.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.51 162.55 28.7 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.486 0.714 . . . . 0.0 111.068 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.66 158.22 78.72 Favored Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -54.89 -38.7 92.56 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 123.156 2.571 . . . . 0.0 113.463 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.14 -50.51 45.3 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.122 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.64 -37.74 85.13 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.702 0.801 . . . . 0.0 110.239 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -55.94 27.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.928 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -37.91 81.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.231 1.012 . . . . 0.0 111.587 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.3 -50.57 69.53 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.459 0.704 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 87.5 mt -67.97 -40.75 83.11 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.627 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.98 -56.18 24.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.308 0.643 . . . . 0.0 110.965 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -60.97 -31.63 71.2 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.343 0.657 . . . . 0.0 112.085 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.83 -26.61 71.29 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.735 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 69.0 mmtt -109.18 21.08 17.59 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.526 0.73 . . . . 0.0 112.121 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 67.75 33.97 4.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.13 0.967 . . . . 0.0 110.512 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 60.81 12.2 3.65 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 125.948 1.699 . . . . 0.0 114.147 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.29 104.56 2.27 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.514 ' HB2' HG13 ' A' ' 30' ' ' VAL . 68.0 tp -49.44 -53.85 20.72 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.82 1.325 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -59.33 -42.35 91.28 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.189 0.995 . . . . 0.0 112.118 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.61 78.21 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.258 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.02 -40.14 68.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.789 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.1 mt -58.61 -45.54 88.94 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.623 0.769 . . . . 0.0 110.511 175.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -65.96 -36.9 84.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.375 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.76 -38.61 83.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.666 0.786 . . . . 0.0 110.555 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.96 -45.24 74.77 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.061 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.479 0.984 0 C-N-CA 122.198 0.199 . . . . 0.0 110.561 179.396 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.3 mtt -60.49 -28.02 68.03 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.39 -40.0 70.83 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.969 0.508 . . . . 0.0 109.659 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.17 -41.84 73.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.258 0.623 . . . . 0.0 110.59 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.96 -38.3 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.354 0.662 . . . . 0.0 110.838 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.1 tp -69.56 -50.82 41.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.886 0.474 . . . . 0.0 110.161 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -48.34 72.95 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.732 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.63 -31.07 68.96 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.542 0.737 . . . . 0.0 112.016 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -60.9 -56.14 24.73 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.01 -38.74 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.374 1.07 . . . . 0.0 111.874 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.58 -30.29 61.65 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.664 0.785 . . . . 0.0 111.498 -176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.4 t -89.99 -36.83 14.73 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.798 0.439 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.461 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 81.2 p -96.01 -34.09 11.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.354 0.662 . . . . 0.0 111.887 -171.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.1 20.8 60.14 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.596 -172.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.65 149.86 27.14 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.361 0.664 . . . . 0.0 110.338 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.77 158.46 84.71 Favored Pre-proline 0 CA--C 1.557 1.245 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -56.97 -36.81 99.4 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 123.383 2.722 . . . . 0.0 113.856 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -48.18 53.36 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.194 0.309 . . . . 0.0 112.942 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.31 -42.01 97.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.788 0.835 . . . . 0.0 110.202 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.33 -56.9 13.95 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.196 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -41.95 71.02 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.411 1.084 . . . . 0.0 111.681 178.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.6 -49.75 72.11 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.74 0.65 . . . . 0.0 111.041 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.2 mt -59.9 -50.19 74.75 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.681 0.613 . . . . 0.0 109.775 177.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -55.41 -54.02 49.03 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.066 0.854 . . . . 0.0 111.839 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 34.6 mt-10 -57.13 -33.95 67.89 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.667 0.387 . . . . 0.0 111.944 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.88 -27.78 71.71 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.739 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mmtt -100.95 14.59 31.4 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.315 0.646 . . . . 0.0 111.457 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 68.15 24.09 7.76 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.967 1.307 . . . . 0.0 112.305 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 82.7 m95 69.22 14.93 8.63 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 126.405 1.882 . . . . 0.0 112.747 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.19 107.76 3.35 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.0 tp -52.58 -56.93 11.87 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 110.668 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.6 m -60.97 -36.52 79.65 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.096 0.959 . . . . 0.0 112.423 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.61 90.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.081 0.552 . . . . 0.0 110.975 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.49 70.38 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.7 mt -60.7 -47.64 85.37 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.193 0.597 . . . . 0.0 109.528 176.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.5 t -69.8 -31.43 69.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.669 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.24 -47.47 61.21 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.85 0.46 . . . . 0.0 110.179 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 81.7 t80 -57.22 -49.1 77.05 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.178 0.991 . . . . 0.0 111.075 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -179.845 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.3 mtt -53.53 -41.64 66.61 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.886 0.875 . . . . 0.0 112.271 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.64 -48.61 74.21 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.115 0.566 . . . . 0.0 110.249 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.16 82.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.235 0.614 . . . . 0.0 111.689 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.1 t -73.85 -47.16 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.964 0.905 . . . . 0.0 110.842 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.34 -44.97 86.04 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.387 0.675 . . . . 0.0 110.553 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -67.42 -41.29 85.07 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.341 0.656 . . . . 0.0 111.05 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.74 -46.11 86.81 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.642 0.589 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -59.48 -60.03 4.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.302 1.001 . . . . 0.0 110.466 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.0 t -57.28 -45.07 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.623 0.769 . . . . 0.0 111.499 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -70.18 -38.35 75.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.395 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.1 t -78.5 -54.97 5.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.073 0.549 . . . . 0.0 110.677 -176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.415 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.7 p -75.74 -21.8 57.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.475 0.71 . . . . 0.0 111.805 -173.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.05 29.27 62.95 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.032 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.04 176.4 9.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.632 0.773 . . . . 0.0 111.059 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -96.73 158.92 32.79 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -58.08 -38.06 93.2 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.129 2.552 . . . . 0.0 112.655 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.39 -50.45 55.64 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.773 0.671 . . . . 0.0 113.506 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.11 -48.68 80.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.704 0.802 . . . . 0.0 110.477 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.1 -57.41 12.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.545 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -59.62 -38.86 82.46 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.36 1.064 . . . . 0.0 111.402 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.78 -41.08 92.45 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.269 0.628 . . . . 0.0 111.03 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.22 -42.58 88.51 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.652 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.89 -45.87 91.88 Favored 'General case' 0 C--O 1.212 -0.912 0 O-C-N 124.031 0.832 . . . . 0.0 111.334 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.8 mt-10 -58.48 -39.19 79.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.781 0.432 . . . . 0.0 110.945 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 -20.32 79.9 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.565 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -108.24 17.74 21.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.449 0.7 . . . . 0.0 112.418 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t30 62.11 25.85 15.51 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.509 1.147 . . . . 0.0 111.111 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.8 m95 64.51 18.75 11.53 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.27 1.828 . . . . 0.0 112.326 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -75.72 105.6 6.84 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.7 -55.77 10.44 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.981 1.426 . . . . 0.0 111.811 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.7 m -58.35 -39.41 79.43 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.992 0.917 . . . . 0.0 112.513 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.3 -38.1 78.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.835 0.854 . . . . 0.0 111.001 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.89 -37.36 67.32 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.09 -46.43 87.44 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.594 0.758 . . . . 0.0 109.431 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -63.68 -33.63 76.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.773 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.8 -37.91 62.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.505 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 66.8 t80 -64.5 -51.99 60.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.312 0.645 . . . . 0.0 110.893 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 123.22 0.608 . . . . 0.0 110.717 178.423 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.03 -32.23 65.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.072 0.949 . . . . 0.0 112.283 -174.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.95 -46.96 69.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.177 0.591 . . . . 0.0 110.219 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.13 86.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.701 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 56' ' ' LEU . 91.8 t -67.64 -36.62 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.388 1.075 . . . . 0.0 110.81 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.34 0.656 . . . . 0.0 109.908 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -64.31 -39.71 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.471 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.1 -46.11 78.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.502 0.721 . . . . 0.0 110.388 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -58.69 -53.5 57.7 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.9 -39.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 124.207 1.003 . . . . 0.0 111.829 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -67.43 -36.65 81.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.581 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -82.9 -45.16 14.54 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.749 0.82 . . . . 0.0 111.795 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.429 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.6 p -95.04 -27.17 15.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.821 0.848 . . . . 0.0 111.648 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.77 6.05 89.34 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.932 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . . . -72.36 148.53 45.2 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 155.63 88.94 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -55.77 -32.9 86.18 Favored 'Trans proline' 0 N--CA 1.506 2.26 0 C-N-CA 123.428 2.752 . . . . 0.0 113.616 -178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -49.64 55.3 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.504 -0.317 . . . . 0.0 112.463 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.94 -40.38 94.94 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.813 0.845 . . . . 0.0 110.014 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.4 65.23 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.974 1.31 . . . . 0.0 111.071 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.44 83.91 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.591 1.157 . . . . 0.0 111.034 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.13 -44.59 97.1 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.301 0.64 . . . . 0.0 111.048 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 73.4 mt -70.86 -40.47 72.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.6 mt -67.21 -50.91 59.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.93 0.892 . . . . 0.0 111.411 -175.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 44.6 mt-10 -57.03 -36.54 70.59 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.801 0.841 . . . . 0.0 111.95 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.15 -20.17 74.66 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.327 -0.852 . . . . 0.0 113.442 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 36.5 mmtm -105.89 15.74 26.18 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.881 0.872 . . . . 0.0 111.502 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.7 t30 62.81 39.51 10.7 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.542 1.163 . . . . 0.0 110.033 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.489 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 79.0 m95 55.72 25.9 8.8 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.447 1.899 . . . . 0.0 113.901 -174.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.78 109.35 9.3 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' HB2' HG13 ' A' ' 30' ' ' VAL . 60.3 tp -52.41 -52.02 56.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' ' 60' ' ' LEU . 5.5 m -64.24 -34.5 78.26 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.432 1.093 . . . . 0.0 112.458 -172.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.15 -33.11 50.48 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.733 0.813 . . . . 0.0 111.187 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -35.19 64.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.514 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 57' ' ' THR . 95.2 mt -60.11 -45.1 94.1 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.993 0.917 . . . . 0.0 109.792 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.2 t -64.48 -38.08 89.77 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.787 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -68.3 -42.26 79.73 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.334 0.654 . . . . 0.0 111.133 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 69.2 t80 -67.99 -45.83 73.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.649 0.779 . . . . 0.0 111.627 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.324 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.83 138.58 44.35 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.579 0.751 . . . . 0.0 109.806 177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 61.26 15.49 6.47 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 124.679 1.192 . . . . 0.0 112.466 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -69.12 -34.51 75.17 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.929 0.891 . . . . 0.0 110.744 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -85.99 -70.51 0.59 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.087 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -150.6 -62.87 0.2 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.101 0.56 . . . . 0.0 110.41 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.39 91.89 0.06 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.636 1.174 . . . . 0.0 109.905 -170.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.76 94.89 0.63 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.635 0.774 . . . . 0.0 109.367 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.9 mt -115.42 174.48 5.98 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.018 0.927 . . . . 0.0 110.615 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.6 t60 72.32 4.43 5.0 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.013 1.325 . . . . 0.0 112.841 171.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -103.79 124.04 39.14 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.743 0.817 . . . . 0.0 110.245 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -64.5 -45.28 9.43 Favored 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.011 2.474 . . . . 0.0 113.028 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.1 ttt -174.67 -55.52 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.512 1.125 . . . . 0.0 108.191 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 t -148.88 -52.77 0.17 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.342 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 tt -175.57 128.11 0.25 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.092 0.957 . . . . 0.0 109.235 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -126.22 112.45 15.77 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 170.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.6 mtt -52.99 -40.3 63.67 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.968 0.907 . . . . 0.0 112.969 -172.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.32 -37.87 74.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.315 0.646 . . . . 0.0 111.36 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.72 76.3 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.214 0.531 . . . . 0.0 111.026 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.49 -35.97 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.414 1.086 . . . . 0.0 110.277 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -65.47 -54.42 28.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.107 0.963 . . . . 0.0 110.463 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -64.22 -43.3 95.4 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.496 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.72 -40.28 88.32 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.702 0.626 . . . . 0.0 110.745 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.94 -53.76 52.89 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.56 -37.18 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.483 1.113 . . . . 0.0 111.614 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -73.39 -33.27 64.92 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.915 1.286 . . . . 0.0 111.344 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.1 t -94.67 -26.27 16.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.791 0.836 . . . . 0.0 111.816 -170.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -110.12 -27.71 9.03 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.09 0.556 . . . . 0.0 111.888 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.12 8.03 82.5 Favored Glycine 0 C--N 1.349 1.25 0 O-C-N 123.192 0.308 . . . . 0.0 113.105 -174.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -75.87 163.55 27.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.805 0.842 . . . . 0.0 110.866 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -79.28 156.28 76.37 Favored Pre-proline 0 CA--C 1.56 1.346 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -62.31 -33.0 81.68 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.249 2.633 . . . . 0.0 113.722 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.41 -48.88 60.35 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD23 ' HB1' ' A' ' 40' ' ' ALA . 58.5 tp -61.28 -39.68 91.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.451 1.1 . . . . 0.0 110.411 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.58 -57.19 14.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.459 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -43.89 68.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.895 1.278 . . . . 0.0 111.541 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.24 -48.38 70.72 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 123.901 0.75 . . . . 0.0 111.035 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 83.8 mt -59.58 -47.42 85.64 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 123.538 0.524 . . . . 0.0 109.929 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.67 -42.31 88.17 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.039 0.936 . . . . 0.0 111.747 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.83 -35.34 77.96 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.476 0.58 . . . . 0.0 110.834 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.57 -13.31 83.59 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 115.709 -0.678 . . . . 0.0 113.303 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -108.17 5.43 25.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 117.422 0.611 . . . . 0.0 111.567 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 66.5 23.06 10.54 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.469 1.128 . . . . 0.0 110.554 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 m95 69.68 19.24 7.35 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.244 1.818 . . . . 0.0 111.629 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.55 102.07 2.15 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.3 tp -51.8 -57.79 8.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.252 1.421 . . . . 0.0 112.054 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -63.34 -33.98 76.7 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.576 0.75 . . . . 0.0 111.788 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.11 92.87 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.455 0.702 . . . . 0.0 110.894 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.97 -42.45 76.6 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.523 0.729 . . . . 0.0 110.827 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.0 mt -58.75 -46.5 87.29 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.698 0.799 . . . . 0.0 109.98 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -69.68 -34.22 73.65 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.812 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.82 -51.2 51.32 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.314 0.646 . . . . 0.0 110.602 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.83 -49.82 76.22 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.405 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.7 pt-20 -67.65 -27.8 67.17 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.766 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.01 -50.06 67.77 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.334 0.654 . . . . 0.0 111.238 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.86 -13.78 62.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.774 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -87.87 -23.9 23.83 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.343 0.657 . . . . 0.0 112.586 171.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 25.0 mm-40 -71.1 -60.29 2.31 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 118.091 0.405 . . . . 0.0 110.793 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' A' ' 72' ' ' ALA . 47.5 t 60.02 82.6 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 124.353 1.061 . . . . 0.0 110.082 -175.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -84.88 86.87 7.32 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 122.039 -0.413 . . . . 0.0 111.43 -172.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.6 m 56.51 34.93 25.19 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 122.703 1.24 . . . . 0.0 110.82 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' A' ' 69' ' ' VAL . . . -89.91 -32.11 16.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.154 -176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -88.44 -53.04 4.86 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.832 0.453 . . . . 0.0 110.329 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -90.55 143.03 28.57 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 122.979 0.512 . . . . 0.0 110.278 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -52.6 -49.15 18.46 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 123.706 2.937 . . . . 0.0 114.288 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -148.51 98.47 2.89 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.429 0.633 . . . . 0.0 110.739 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.63 103.3 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -137.26 92.46 2.71 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.957 0.503 . . . . 0.0 110.103 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -90.25 172.57 8.68 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -65.79 89.12 0.11 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.08 167.55 12.36 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.717 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -112.38 135.74 52.7 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.749 0.82 . . . . 0.0 110.153 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.71 -1.05 . . . . 0.0 112.849 175.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.58 19.88 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 58.37 94.31 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.263 1.425 . . . . 0.0 110.143 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.9 m -71.93 76.25 0.9 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.743 0.782 . . . . 0.0 111.871 -175.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.618 ' HZ3' ' HD2' ' A' ' 36' ' ' ARG . 51.0 m95 -109.02 59.42 0.6 Allowed 'General case' 0 C--O 1.241 0.647 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 172.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.02 -46.88 84.57 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.159 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.65 88.49 0.07 Allowed 'General case' 0 C--N 1.354 0.777 0 O-C-N 124.893 1.371 . . . . 0.0 111.651 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.9 pt? -124.89 152.87 43.49 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.526 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.8 tp -85.77 41.53 0.91 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.784 0.834 . . . . 0.0 110.45 -174.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -172.64 -103.09 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.895 0.878 . . . . 0.0 109.141 173.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.8 161.94 0.58 Allowed Pre-proline 0 N--CA 1.493 1.686 0 C-N-CA 124.687 1.195 . . . . 0.0 108.116 -177.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -54.68 -60.54 0.56 Allowed 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 123.382 2.721 . . . . 0.0 114.558 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.2 mtp -119.14 -62.3 1.53 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.223 0.609 . . . . 0.0 112.208 -167.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 t -153.92 -35.78 0.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.953 0.901 . . . . 0.0 110.003 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.9 tt -171.0 137.84 1.23 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -127.93 110.91 13.0 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -56.26 -38.21 70.85 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.51 -38.93 71.09 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.756 0.422 . . . . 0.0 110.244 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.2 71.42 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.979 0.512 . . . . 0.0 110.826 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.23 -34.19 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 124.103 0.961 . . . . 0.0 110.459 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.48 -48.18 65.13 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.17 0.588 . . . . 0.0 109.611 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -60.79 -46.22 91.35 Favored 'General case' 0 C--O 1.248 0.991 0 C-N-CA 123.71 0.804 . . . . 0.0 110.908 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 -53.15 54.27 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.495 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.25 -57.51 10.9 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 124.029 0.831 . . . . 0.0 111.706 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 40' ' ' ALA . 72.4 t -52.08 -44.74 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 124.063 0.852 . . . . 0.0 110.958 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.618 ' HD2' ' HZ3' ' A' ' 15' ' ' TRP . 71.9 ttt180 -72.43 -32.8 66.61 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.598 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -87.88 -11.51 47.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.631 0.773 . . . . 0.0 112.757 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.563 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 47.4 p -118.8 -35.42 3.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.37 21.81 53.29 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.503 -169.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 35' ' ' VAL . . . -79.94 168.59 19.02 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.571 0.748 . . . . 0.0 110.142 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.61 156.53 36.57 Favored Pre-proline 0 N--CA 1.483 1.189 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -60.87 -29.76 88.75 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.111 2.541 . . . . 0.0 113.684 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.59 -52.99 18.25 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.11 -31.3 72.41 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.771 0.829 . . . . 0.0 110.671 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.97 35.82 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.527 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -41.88 70.23 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.261 0.975 . . . . 0.0 110.824 175.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.9 -58.1 9.87 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.983 0.913 . . . . 0.0 111.235 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.0 mt -63.08 -43.53 98.29 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.041 0.838 . . . . 0.0 110.987 -176.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 mt -59.0 -54.59 45.36 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.688 0.795 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -60.31 -32.7 71.47 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.84 0.456 . . . . 0.0 111.658 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.56 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 113.282 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 70.1 mmtt -109.17 12.47 24.98 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 0.0 111.447 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 68.94 37.74 2.19 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.633 1.173 . . . . 0.0 110.968 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 54.74 16.24 1.34 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.972 1.709 . . . . 0.0 114.025 -170.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.44 104.81 3.91 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.7 tp -50.09 -51.12 45.35 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.794 1.308 . . . . 0.0 111.18 -175.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -58.81 -46.47 87.54 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.285 0.99 . . . . 0.0 112.177 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.86 86.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.514 0.725 . . . . 0.0 111.497 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.84 72.57 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.782 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.8 mt -55.78 -49.18 73.88 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.545 0.738 . . . . 0.0 109.21 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.0 m -62.83 -34.06 76.54 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.447 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.36 -40.97 66.93 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.253 0.621 . . . . 0.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.563 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 47.1 t80 -75.05 -41.17 59.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.927 -176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.59 -24.74 65.53 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -49.72 64.97 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.37 -11.73 60.58 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.477 0.311 . . . . 0.0 111.71 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 7.6 mmp_? -78.53 -41.26 32.73 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.704 0.401 . . . . 0.0 110.733 171.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -78.93 -28.14 43.78 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.061 0.544 . . . . 0.0 110.957 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 t 45.95 72.68 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.628 1.571 . . . . 0.0 110.524 -170.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -61.33 -31.09 70.95 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.961 0.904 . . . . 0.0 111.658 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -75.12 -6.26 48.6 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.927 0.891 . . . . 0.0 112.515 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.95 151.78 23.47 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.991 0.516 . . . . 0.0 111.148 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -113.85 92.33 3.94 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.86 141.07 33.25 Favored Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 171.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -48.01 -41.64 32.9 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 123.059 2.506 . . . . 0.0 111.828 165.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -72.67 97.26 2.14 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 170.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.86 96.16 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.774 0.829 . . . . 0.0 110.531 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -82.77 64.53 7.45 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.404 1.081 . . . . 0.0 110.372 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 62.98 93.18 0.06 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.907 1.283 . . . . 0.0 110.975 -173.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.6 113.62 3.09 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.225 0.61 . . . . 0.0 110.418 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -155.23 154.33 25.44 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.679 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -161.72 15.78 0.1 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.645 1.178 . . . . 0.0 109.877 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.223 0 CA-C-O 118.771 -1.016 . . . . 0.0 112.825 -179.587 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.6 -73.67 0.25 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.344 0.658 . . . . 0.0 109.41 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 54.58 15.87 1.18 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.235 1.414 . . . . 0.0 114.178 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -141.74 127.8 19.58 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.286 0.635 . . . . 0.0 109.413 -175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.618 ' HB3' HD13 ' A' ' 18' ' ' LEU . 88.4 m95 -134.2 71.45 1.45 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.557 0.694 . . . . 0.0 109.888 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.5 -6.35 58.03 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.555 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.9 -23.71 63.28 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.81 0.844 . . . . 0.0 112.121 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD13 ' HB3' ' A' ' 15' ' ' TRP . 7.5 mp -83.4 176.77 8.84 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.054 0.941 . . . . 0.0 110.863 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.9 159.75 34.09 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.346 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.52 -28.79 19.4 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.052 0.541 . . . . 0.0 110.954 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.36 127.44 18.83 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -58.89 -21.76 59.25 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.728 2.952 . . . . 0.0 115.671 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 ttt -153.14 -80.17 0.1 Allowed 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 118.271 0.487 . . . . 0.0 111.955 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 t -143.51 -37.3 0.35 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.569 0.748 . . . . 0.0 110.2 -172.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -166.09 102.37 0.64 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.343 1.057 . . . . 0.0 108.474 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -107.24 102.47 11.77 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mtt -61.94 -25.87 67.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -173.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.47 -43.13 70.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.294 0.638 . . . . 0.0 109.899 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.84 77.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.58 0.752 . . . . 0.0 111.464 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 56' ' ' LEU . 77.9 t -65.56 -43.35 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.005 0.922 . . . . 0.0 110.218 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.72 -45.58 82.16 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.277 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -62.9 -42.37 99.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.943 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.2 -39.27 78.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.941 0.775 . . . . 0.0 110.566 -175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.8 -54.95 41.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.446 0.698 . . . . 0.0 109.622 174.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.86 -29.22 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 124.209 1.004 . . . . 0.0 111.542 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -75.73 -33.24 60.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.588 0.755 . . . . 0.0 110.616 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -83.0 -57.74 3.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.398 0.679 . . . . 0.0 110.62 -176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -84.51 -26.82 27.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.103 0.961 . . . . 0.0 111.919 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.28 19.22 78.61 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.981 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.15 165.69 22.21 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.589 0.756 . . . . 0.0 111.676 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.21 136.76 95.63 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 123.615 0.766 . . . . 0.0 109.867 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.08 -30.98 46.67 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.836 2.357 . . . . 0.0 112.998 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.38 83.46 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.82 -47.36 83.77 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.973 0.909 . . . . 0.0 109.924 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.08 71.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.068 -1.423 . . . . 0.0 110.908 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.39 -43.48 79.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.842 1.257 . . . . 0.0 111.488 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.78 -47.37 85.49 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.211 0.604 . . . . 0.0 110.921 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.7 mt -65.46 -36.06 82.78 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.3 -53.33 45.45 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.804 0.842 . . . . 0.0 110.355 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -53.31 -44.06 68.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.788 0.835 . . . . 0.0 111.548 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.06 76.14 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.406 -0.816 . . . . 0.0 113.358 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.7 mmtm -97.67 12.12 34.74 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.369 0.667 . . . . 0.0 111.902 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 70.41 32.19 2.81 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.74 1.216 . . . . 0.0 111.633 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.7 m95 60.32 21.55 11.05 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.018 1.727 . . . . 0.0 112.86 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.85 99.9 1.83 Allowed 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' HB2' HG13 ' A' ' 30' ' ' VAL . 55.9 tp -53.48 -52.25 60.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.408 1.068 . . . . 0.0 111.491 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -63.82 -36.8 85.11 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 124.032 0.832 . . . . 0.0 111.979 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.91 73.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.65 0.78 . . . . 0.0 111.271 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -34.73 60.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.833 0.453 . . . . 0.0 111.055 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.54 -46.28 90.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.672 0.789 . . . . 0.0 109.464 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -64.12 -30.98 72.01 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.18 0.925 . . . . 0.0 111.639 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.85 -42.72 57.42 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.642 0.777 . . . . 0.0 110.989 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.07 -45.97 72.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.757 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 12.3 pt-20 -69.33 -24.94 63.99 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -61.66 -53.28 58.27 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.315 1.046 . . . . 0.0 110.909 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 67' ' ' ARG . 4.6 pp -73.79 -20.12 60.57 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.808 0.443 . . . . 0.0 111.512 -178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' HG2' HD12 ' A' ' 66' ' ' LEU . 3.6 mmp_? -88.58 -17.4 30.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.529 0.731 . . . . 0.0 112.0 173.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 6.8 tp-100 -70.33 -50.59 37.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.303 0.641 . . . . 0.0 110.027 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.9 t 55.39 85.77 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.86 1.264 . . . . 0.0 111.408 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -120.46 -59.52 1.76 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.719 0.808 . . . . 0.0 110.645 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 t -75.43 -23.13 56.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.842 0.353 . . . . 0.0 110.187 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.68 4.19 53.31 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.296 1.038 . . . . 0.0 111.394 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -94.77 149.52 21.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.144 0.578 . . . . 0.0 110.913 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.12 154.74 60.57 Favored Pre-proline 0 CA--C 1.559 1.298 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.592 172.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.57 80.19 0.33 Allowed 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.946 2.431 . . . . 0.0 112.336 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -146.46 94.58 2.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.372 1.069 . . . . 0.0 108.96 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.47 135.05 29.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 170.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -81.73 74.7 8.7 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.412 0.685 . . . . 0.0 109.759 -173.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -95.35 102.78 14.61 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.45 1.1 . . . . 0.0 108.217 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -75.89 115.59 15.75 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.269 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.17 79.27 0.77 Allowed Glycine 0 C--N 1.344 0.981 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 170.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.3 mtp-105 68.09 98.1 0.06 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.291 1.436 . . . . 0.0 110.69 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 CA-C-O 119.026 -0.874 . . . . 0.0 112.588 -179.401 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 121.148 0.499 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.51 -7.48 20.84 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.907 0.883 . . . . 0.0 109.715 165.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -52.63 -62.65 1.51 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.578 1.551 . . . . 0.0 111.477 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.64 110.34 22.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.23 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -64.74 90.51 0.08 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.56 0.695 . . . . 0.0 109.619 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.83 -41.37 0.01 OUTLIER 'General case' 0 C--O 1.238 0.471 0 CA-C-N 114.051 -1.432 . . . . 0.0 107.521 -175.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.98 154.95 17.77 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.227 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp 71.24 162.59 0.25 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.066 1.346 . . . . 0.0 110.21 -165.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.84 104.85 0.59 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.769 0.828 . . . . 0.0 110.833 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -138.51 87.57 2.24 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.924 0.89 . . . . 0.0 110.441 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.518 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 15.8 m-20 68.84 172.51 0.1 OUTLIER Pre-proline 0 N--CA 1.493 1.724 0 C-N-CA 124.154 0.982 . . . . 0.0 111.318 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 21' ' ' ASP . 30.2 Cg_endo -61.39 -18.9 61.85 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 122.273 1.982 . . . . 0.0 112.603 172.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 63.3 mtt -106.04 67.28 0.74 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.001 0.92 . . . . 0.0 109.169 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 t -78.51 -27.79 46.16 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.779 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 54' ' ' TRP . 6.4 tt -77.06 133.08 39.18 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 172.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -127.54 113.85 16.66 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -38.81 66.07 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.57 0.748 . . . . 0.0 112.726 -173.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -40.69 83.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.862 0.865 . . . . 0.0 111.023 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.94 -47.95 67.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.684 0.794 . . . . 0.0 111.138 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.61 -37.71 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 123.969 0.907 . . . . 0.0 110.626 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.17 -49.89 68.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.524 0.73 . . . . 0.0 110.545 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.1 t -64.15 -42.26 96.84 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.949 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -75.51 -29.79 59.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.434 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.74 -59.43 5.17 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.37 -32.31 44.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 124.765 1.226 . . . . 0.0 111.509 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -64.39 -43.52 94.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.715 1.206 . . . . 0.0 110.946 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -86.67 -27.55 23.7 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.617 0.767 . . . . 0.0 112.39 -173.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -106.54 -29.59 9.57 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.242 0.617 . . . . 0.0 112.055 -170.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.55 71.75 Favored Glycine 0 C--N 1.344 0.993 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.654 -170.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 164.72 26.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.985 0.914 . . . . 0.0 111.949 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.24 153.89 62.91 Favored Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 170.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -58.44 -38.21 91.26 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.985 2.457 . . . . 0.0 113.18 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.81 -50.71 45.8 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.37 0.418 . . . . 0.0 113.131 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 62.3 tp -57.69 -45.13 86.05 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.168 0.987 . . . . 0.0 110.643 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.33 -57.57 12.07 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.811 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.71 -37.8 82.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.32 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.68 -48.19 81.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.705 0.802 . . . . 0.0 110.819 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 87.4 mt -66.89 -38.11 85.67 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.298 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.52 -47.03 85.69 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.563 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.2 mt-10 -58.84 -35.12 72.41 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.156 0.434 . . . . 0.0 111.779 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.43 73.63 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 115.802 -0.635 . . . . 0.0 113.065 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.9 mmtm -100.11 14.21 31.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.96 34.97 19.23 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.988 0.899 . . . . 0.0 111.435 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.443 ' HB3' HD21 ' A' ' 25' ' ' LEU . 83.9 m95 58.5 24.18 11.59 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.414 1.886 . . . . 0.0 113.018 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.15 116.92 18.96 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.09 -57.91 9.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.022 1.329 . . . . 0.0 110.584 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 m -53.08 -44.68 67.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.996 1.318 . . . . 0.0 111.971 -173.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.09 -51.38 69.39 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.105 0.962 . . . . 0.0 111.062 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.1 74.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.909 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.65 -46.21 90.75 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.31 0.644 . . . . 0.0 109.578 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -67.7 -31.24 71.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.239 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 37.5 t70 -70.94 -47.42 59.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.584 0.754 . . . . 0.0 110.383 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -55.84 -53.5 56.0 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.696 1.198 . . . . 0.0 111.379 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.58 -32.1 72.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.047 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.24 -44.73 71.38 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.692 0.397 . . . . 0.0 110.958 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.94 -23.96 59.59 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.743 0.417 . . . . 0.0 111.566 -175.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -87.73 -30.05 20.61 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -71.53 -67.67 0.51 Allowed 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t 46.42 102.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.352 1.461 . . . . 0.0 110.835 -169.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -41.59 -37.08 1.05 Allowed 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.714 1.606 . . . . 0.0 114.599 -165.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 t -143.22 -45.23 0.29 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.03 0.532 . . . . 0.0 111.325 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.56 -172.25 0.12 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.328 1.051 . . . . 0.0 111.923 -171.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -104.75 -21.37 13.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.04 0.536 . . . . 0.0 109.795 169.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.39 137.93 91.38 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 123.73 0.812 . . . . 0.0 109.752 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.27 121.35 9.53 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.4 2.734 . . . . 0.0 113.851 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -119.59 167.38 12.06 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.616 1.166 . . . . 0.0 109.843 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.5 m -70.61 139.73 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.971 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.47 -49.14 62.0 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.322 0.649 . . . . 0.0 110.029 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -75.93 102.76 5.7 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.621 173.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -53.75 132.71 41.68 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.178 0.991 . . . . 0.0 111.318 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.34 168.46 41.47 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.408 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.3 ptt85 -162.95 -30.45 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.779 0.831 . . . . 0.0 110.503 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 CA-C-O 119.158 -0.801 . . . . 0.0 111.419 -176.672 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.84 -175.01 2.59 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.052 0.941 . . . . 0.0 110.572 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 62.71 93.0 0.05 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.998 1.319 . . . . 0.0 112.005 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.2 m -91.5 14.61 14.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.774 0.83 . . . . 0.0 111.522 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -84.33 104.57 14.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.636 0.774 . . . . 0.0 110.146 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.4 92.08 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.44 0.638 . . . . 0.0 109.494 170.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.94 97.44 2.07 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.233 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tt -99.97 117.98 35.4 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 167.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.2 tp -127.87 -14.44 5.05 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.487 0.715 . . . . 0.0 109.95 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -135.87 142.78 44.78 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -75.19 168.72 25.01 Favored Pre-proline 0 CA--C 1.564 1.491 0 C-N-CA 123.692 0.797 . . . . 0.0 111.339 -173.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -52.44 -26.03 26.83 Favored 'Trans proline' 0 C--N 1.385 2.481 0 C-N-CA 123.314 2.676 . . . . 0.0 116.217 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.7 mtm -132.82 -87.35 0.44 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 118.929 0.786 . . . . 0.0 112.042 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.1 m -141.61 -40.38 0.38 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.704 0.802 . . . . 0.0 110.307 -169.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 54' ' ' TRP . 58.1 tp -155.7 103.28 2.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.978 171.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -97.04 96.0 8.18 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.45 -36.6 44.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.475 0.71 . . . . 0.0 111.817 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.44 -41.36 76.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 0.0 111.484 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.37 72.46 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.949 0.5 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.98 -40.57 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.847 0.859 . . . . 0.0 110.088 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -63.82 -40.9 97.72 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.007 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -65.51 -52.94 49.05 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.328 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.99 -38.54 91.28 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.086 0.866 . . . . 0.0 110.96 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.79 -54.35 47.33 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.206 0.316 . . . . 0.0 110.556 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.74 -36.74 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.019 0.928 . . . . 0.0 111.265 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.66 -33.25 70.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.446 1.498 . . . . 0.0 112.197 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.7 m -87.94 -53.41 4.75 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.087 0.555 . . . . 0.0 111.549 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -83.82 -28.17 28.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.911 0.885 . . . . 0.0 111.882 -172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.55 9.93 80.53 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 116.335 -0.393 . . . . 0.0 113.277 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.38 165.97 24.28 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.598 0.759 . . . . 0.0 110.831 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.4 157.64 67.46 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.94 -36.1 95.24 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.146 2.564 . . . . 0.0 113.574 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.9 53.37 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.115 0.259 . . . . 0.0 112.981 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.15 -39.79 94.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.994 0.917 . . . . 0.0 110.301 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.45 47.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.356 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -43.61 81.13 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.214 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.41 -50.33 73.33 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.861 0.726 . . . . 0.0 111.181 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.9 mt -65.11 -46.54 80.63 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.946 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.77 -30.47 71.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.526 0.73 . . . . 0.0 112.076 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.84 -37.65 88.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.051 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.2 -27.33 64.24 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.67 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.1 mmtt -97.41 6.86 47.58 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 117.759 0.78 . . . . 0.0 111.442 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 62.9 25.56 15.13 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 124.387 1.075 . . . . 0.0 110.311 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' HB2' HD21 ' A' ' 25' ' ' LEU . 91.6 m95 72.9 24.91 2.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.587 1.955 . . . . 0.0 112.092 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.6 107.45 6.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.79 -54.88 32.06 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.621 1.201 . . . . 0.0 111.033 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -62.94 -40.39 97.49 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.962 0.905 . . . . 0.0 112.024 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.76 80.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.265 0.626 . . . . 0.0 111.229 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.41 68.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.155 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.08 -45.55 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.317 0.647 . . . . 0.0 109.819 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.1 m -69.4 -34.29 74.29 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.308 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.43 -49.64 62.83 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.605 0.762 . . . . 0.0 110.542 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -64.48 -44.19 91.79 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.81 -24.88 64.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.291 0.236 . . . . 0.0 110.569 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -72.93 -47.47 45.3 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.972 0.509 . . . . 0.0 110.812 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 pp -72.41 -16.95 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.416 0.287 . . . . 0.0 111.162 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -86.16 -28.08 24.17 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.199 0.599 . . . . 0.0 111.313 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.44 -62.39 1.88 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.547 0.739 . . . . 0.0 110.658 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 72' ' ' ALA . 24.4 t 51.59 89.9 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.858 1.263 . . . . 0.0 112.489 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -64.96 -21.99 66.93 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.662 0.785 . . . . 0.0 111.518 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.2 m -71.24 -33.08 69.5 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.054 0.942 . . . . 0.0 111.291 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.584 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -73.94 -68.68 0.49 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.179 0.592 . . . . 0.0 110.031 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -171.96 139.15 1.1 Allowed 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.07 0.948 . . . . 0.0 108.464 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.68 151.98 93.52 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 123.483 0.713 . . . . 0.0 109.752 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.61 140.98 24.42 Favored 'Trans proline' 0 C--N 1.369 1.624 0 C-N-CA 121.909 1.739 . . . . 0.0 111.566 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -81.66 65.15 6.67 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.964 0.888 . . . . 0.0 108.804 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.7 t -135.1 128.21 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -69.17 -52.58 26.53 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.461 0.704 . . . . 0.0 109.849 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 56.65 67.74 0.95 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.006 0.923 . . . . 0.0 110.307 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -89.49 107.95 19.37 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.149 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 161.32 -64.62 0.27 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -84.27 107.77 16.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.42 0.688 . . . . 0.0 109.292 174.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.636 -1.091 . . . . 0.0 110.784 177.873 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.9 134.65 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.88 1.272 . . . . 0.0 111.281 -171.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.9 107.58 5.36 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.299 0.64 . . . . 0.0 109.882 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -56.87 -33.32 66.74 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.438 1.095 . . . . 0.0 112.415 -173.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -72.51 -71.72 0.28 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.53 0.732 . . . . 0.0 109.867 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.42 -68.37 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.818 1.247 . . . . 0.0 108.726 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.79 104.76 1.37 Allowed 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -82.62 168.94 16.81 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.063 0.545 . . . . 0.0 110.152 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -135.36 0.21 2.76 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.581 0.752 . . . . 0.0 110.807 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 69.02 109.45 0.05 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.959 1.303 . . . . 0.0 110.363 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 79.29 154.59 0.13 Allowed Pre-proline 0 N--CA 1.491 1.587 0 C-N-CA 125.634 1.574 . . . . 0.0 112.636 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.12 -38.19 92.51 Favored 'Trans proline' 0 C--N 1.391 2.813 0 C-N-CA 123.181 2.587 . . . . 0.0 111.841 171.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.9 ttt 55.79 30.18 15.27 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.061 1.344 . . . . 0.0 111.766 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 t -65.77 -33.96 77.07 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.931 0.492 . . . . 0.0 110.305 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.18 130.96 13.2 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 174.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -146.39 124.34 12.03 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -52.79 -42.45 65.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.27 -40.75 81.78 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.147 0.579 . . . . 0.0 111.116 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.89 67.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.32 0.648 . . . . 0.0 111.751 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.8 -35.69 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 124.224 1.01 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.7 -49.79 73.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.671 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -64.12 -38.57 91.54 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.267 -178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.84 -48.63 68.26 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.679 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.63 -53.69 55.47 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.059 0.849 . . . . 0.0 110.741 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.18 -37.13 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.767 0.827 . . . . 0.0 111.694 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -71.1 -39.23 72.23 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.707 0.803 . . . . 0.0 111.181 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.8 m -82.72 -26.19 32.21 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.455 0.702 . . . . 0.0 112.297 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -112.51 -35.03 5.67 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.936 0.494 . . . . 0.0 111.844 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.28 6.57 74.34 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.862 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.88 49.15 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.301 0.641 . . . . 0.0 110.093 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.01 157.29 90.15 Favored Pre-proline 0 CA--C 1.556 1.192 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.53 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.34 -32.4 88.32 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 123.123 2.549 . . . . 0.0 113.557 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.06 -50.35 34.84 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 116.653 -0.249 . . . . 0.0 112.68 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.14 -42.34 98.37 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.934 0.894 . . . . 0.0 110.146 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.81 53.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.925 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.97 -38.58 70.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.234 0.959 . . . . 0.0 111.658 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.86 -49.46 68.06 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.494 0.496 . . . . 0.0 110.36 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 69.2 mt -65.27 -40.39 93.85 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.455 0.472 . . . . 0.0 110.083 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.37 -49.33 72.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.922 0.889 . . . . 0.0 111.489 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 64.8 mt-10 -64.51 -27.24 68.83 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.386 0.539 . . . . 0.0 111.787 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.52 -22.72 78.82 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.908 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.1 mmtm -107.91 15.99 23.9 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.619 0.768 . . . . 0.0 112.44 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.46 24.57 14.63 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.238 1.015 . . . . 0.0 111.586 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.426 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 91.8 m95 73.98 15.09 3.86 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.59 1.956 . . . . 0.0 113.145 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -70.44 115.27 9.43 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 168.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 tp -54.84 -50.16 69.32 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.932 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -61.23 -47.89 83.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.756 0.823 . . . . 0.0 112.385 -172.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.74 80.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.528 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.31 -37.73 63.52 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.556 0.535 . . . . 0.0 111.535 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -49.45 76.66 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.352 0.661 . . . . 0.0 109.917 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -66.07 -31.32 72.12 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.94 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 31.8 t70 -67.66 -49.44 62.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.492 0.717 . . . . 0.0 110.621 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -58.87 -44.77 91.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 111.049 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.37 -21.55 58.22 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -74.55 -41.24 60.92 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.702 0.801 . . . . 0.0 110.965 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.92 -27.96 57.84 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 120.738 0.304 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -89.47 -3.81 58.22 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.356 0.662 . . . . 0.0 112.624 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -67.72 -53.24 29.13 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.024 0.529 . . . . 0.0 109.97 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 71' ' ' THR . 10.8 t 62.56 173.58 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.57 1.739 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.209 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.12 -22.92 11.2 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.221 -0.925 . . . . 0.0 110.643 172.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.652 ' H ' HG12 ' A' ' 69' ' ' VAL . 6.0 m -115.37 10.99 15.97 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 123.367 0.667 . . . . 0.0 111.505 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.63 84.76 2.0 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.731 -0.605 . . . . 0.0 111.338 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -174.03 145.09 1.05 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.158 0.983 . . . . 0.0 110.163 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.61 118.17 67.89 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -65.82 -45.51 6.25 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.496 2.131 . . . . 0.0 110.68 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -83.28 107.98 16.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.724 171.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 p -144.05 103.22 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 123.609 0.764 . . . . 0.0 109.624 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.3 t80 57.54 79.67 0.19 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.501 1.12 . . . . 0.0 111.838 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -84.74 124.62 31.74 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.17 -81.38 0.07 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 122.665 0.386 . . . . 0.0 110.662 -175.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.72 0.83 20.72 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 119.576 -0.569 . . . . 0.0 114.121 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 58.07 22.75 9.3 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.911 1.284 . . . . 0.0 111.657 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.353 0 CA-C-O 118.77 -1.017 . . . . 0.0 113.113 -171.852 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.22 170.64 0.21 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.841 1.256 . . . . 0.0 112.275 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -81.09 -57.63 3.43 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.728 -175.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -146.45 140.28 26.15 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.22 0.608 . . . . 0.0 110.452 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -112.27 147.58 35.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.941 0.896 . . . . 0.0 109.171 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.95 -32.87 61.83 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.874 0.47 . . . . 0.0 110.52 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.21 20.97 10.33 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.48 1.112 . . . . 0.0 112.862 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.8 mt -84.39 159.73 20.77 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.328 0.651 . . . . 0.0 110.641 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 mp 69.1 13.08 8.68 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.936 1.295 . . . . 0.0 111.182 -170.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -112.58 -20.53 11.68 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.928 0.891 . . . . 0.0 109.604 173.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -90.11 150.14 42.81 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 124.845 1.258 . . . . 0.0 110.353 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.43 -31.03 18.29 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.061 2.507 . . . . 0.0 113.733 -176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 45.7 ttm -146.81 -58.21 0.28 Allowed 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.758 0.789 . . . . 0.0 108.923 -173.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 t -158.28 -41.95 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.205 -1.361 . . . . 0.0 107.867 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 tt -172.92 145.95 1.48 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -145.42 112.2 5.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -52.84 -41.61 64.41 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.858 0.863 . . . . 0.0 112.463 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.09 -43.55 86.96 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.643 0.589 . . . . 0.0 110.683 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.1 71.32 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.328 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.08 -41.2 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.897 0.879 . . . . 0.0 110.62 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -64.25 -51.7 62.32 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.47 0.708 . . . . 0.0 110.259 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -64.63 -41.09 96.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.888 0.742 . . . . 0.0 111.352 -177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.4 -46.42 80.1 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.835 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.09 -53.62 56.05 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.002 0.814 . . . . 0.0 110.691 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.5 -38.94 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 124.17 0.919 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -74.62 -32.76 62.41 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.133 0.973 . . . . 0.0 111.001 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -83.0 -33.01 26.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.829 0.851 . . . . 0.0 112.402 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -108.53 -25.32 10.98 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.14 14.54 80.35 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 123.44 0.463 . . . . 0.0 113.119 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -77.48 161.28 28.06 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.264 0.626 . . . . 0.0 110.505 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.03 157.83 75.58 Favored Pre-proline 0 CA--C 1.56 1.337 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.32 -35.03 86.28 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.146 2.564 . . . . 0.0 113.371 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.44 28.29 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.273 0.358 . . . . 0.0 112.747 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.443 HD23 ' HB1' ' A' ' 40' ' ' ALA . 51.9 tp -55.15 -45.86 75.68 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.64 1.176 . . . . 0.0 111.087 175.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.88 41.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.844 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 2.3 tmt_? -59.51 -43.22 93.46 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.644 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.79 -48.36 72.8 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.781 0.832 . . . . 0.0 110.928 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 72.7 mt -59.58 -46.88 87.62 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 109.666 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.87 -24.34 66.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.194 0.998 . . . . 0.0 112.528 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 9.4 mm-40 -64.48 -36.0 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.841 0.456 . . . . 0.0 109.871 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.52 -5.33 61.77 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.488 -0.778 . . . . 0.0 113.448 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 71.0 mmtt -107.59 6.14 27.63 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.541 0.736 . . . . 0.0 111.897 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 63.14 22.87 13.63 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.039 0.935 . . . . 0.0 110.75 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 62.28 21.98 12.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.387 1.475 . . . . 0.0 112.422 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.75 108.72 7.68 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 168.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -53.19 -51.46 62.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.55 1.14 . . . . 0.0 111.111 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -61.96 -36.68 82.17 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.214 1.006 . . . . 0.0 111.758 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.18 79.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.391 0.676 . . . . 0.0 110.795 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.95 69.96 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.192 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.98 -44.46 96.68 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.705 0.628 . . . . 0.0 109.872 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.8 t -64.95 -37.38 87.47 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.26 0.975 . . . . 0.0 110.813 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.35 -47.78 72.34 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.591 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -65.79 -48.05 73.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.052 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.04 -25.94 68.04 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.397 0.279 . . . . 0.0 110.613 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -68.45 -50.16 54.55 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.44 0.696 . . . . 0.0 110.966 173.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.75 -29.52 61.17 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -13.38 43.35 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.815 0.446 . . . . 0.0 110.289 -177.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.48 -50.88 71.82 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.233 0.613 . . . . 0.0 109.921 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t 55.24 96.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.272 1.429 . . . . 0.0 110.978 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -64.96 -21.53 66.85 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.101 0.56 . . . . 0.0 112.058 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.8 m -77.01 -35.03 57.4 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.674 0.79 . . . . 0.0 111.004 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.48 -156.7 0.72 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.256 1.022 . . . . 0.0 109.559 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -160.2 125.67 4.01 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.182 0.515 . . . . 0.0 109.658 170.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.07 114.26 63.29 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.2 83.25 0.15 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.373 2.716 . . . . 0.0 112.632 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -138.21 103.3 4.89 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t 60.56 93.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.758 1.223 . . . . 0.0 109.486 -169.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.84 -40.55 91.85 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.973 0.909 . . . . 0.0 110.517 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -162.96 147.03 11.24 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.436 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -143.13 -176.96 5.12 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.701 0.8 . . . . 0.0 109.597 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.64 -161.74 33.9 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 57.81 62.4 2.1 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.902 1.281 . . . . 0.0 109.375 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.463 179.288 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.44 -177.64 6.37 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.961 0.904 . . . . 0.0 110.313 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.14 151.39 47.07 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.922 0.489 . . . . 0.0 110.168 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.506 ' H ' ' HG2' ' A' ' 64' ' ' GLU . 62.8 m -118.17 84.46 2.18 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.089 0.556 . . . . 0.0 111.0 -171.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -78.01 100.93 6.67 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 171.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.676 ' HB3' HG23 ' A' ' 57' ' ' THR . . . -76.02 -44.51 39.02 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.298 174.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.63 29.24 18.87 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.565 1.166 . . . . 0.0 111.652 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt 62.8 101.52 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.795 1.238 . . . . 0.0 111.312 -174.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -69.68 -51.4 34.93 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 170.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 59.91 92.48 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.545 1.138 . . . . 0.0 110.852 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.04 123.66 78.78 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.224 0.609 . . . . 0.0 109.817 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.91 -27.79 85.7 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 123.304 2.669 . . . . 0.0 113.742 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 59.6 mtm -81.04 -68.64 0.67 Allowed 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -165.92 -59.65 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.774 1.23 . . . . 0.0 107.933 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.6 tp -176.86 157.71 1.52 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.248 1.419 . . . . 0.0 108.122 -176.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -151.24 104.28 3.09 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 172.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -54.09 -37.32 64.12 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.515 0.726 . . . . 0.0 112.367 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.58 -41.13 84.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.226 0.61 . . . . 0.0 110.623 -176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.66 75.63 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.246 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.07 -38.08 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.014 0.926 . . . . 0.0 110.769 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -65.45 -50.7 64.39 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.814 0.845 . . . . 0.0 109.511 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -64.17 -41.56 97.07 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.866 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -46.93 84.87 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.361 0.664 . . . . 0.0 109.288 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HA ' HD21 ' A' ' 60' ' ' LEU . 44.7 t80 -56.08 -60.01 4.1 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.999 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.81 -40.08 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 124.321 1.049 . . . . 0.0 111.851 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -70.66 -31.41 68.32 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.763 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.6 p -93.38 -34.88 13.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 75.1 p -88.92 -33.73 17.18 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.44 0.696 . . . . 0.0 112.0 -172.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.22 9.09 86.48 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.841 -171.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.53 146.42 34.32 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.513 0.725 . . . . 0.0 109.128 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -69.07 156.81 90.8 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -57.0 -31.18 89.24 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 C-N-CA 123.01 2.473 . . . . 0.0 113.51 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.7 79.94 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.107 0.254 . . . . 0.0 113.093 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.65 -39.75 80.54 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.83 0.852 . . . . 0.0 109.893 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.47 67.67 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -58.07 -45.88 86.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.245 0.966 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.12 -49.51 66.38 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.722 0.809 . . . . 0.0 111.376 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 93.8 mt -65.29 -48.2 73.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.211 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.75 -24.36 66.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.848 0.859 . . . . 0.0 112.097 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.64 -40.64 69.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.95 -15.73 80.8 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-N 115.365 -0.834 . . . . 0.0 113.79 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -110.93 12.64 22.19 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 117.505 0.653 . . . . 0.0 111.739 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 64.73 23.0 12.68 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.176 0.99 . . . . 0.0 111.495 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.2 m95 64.83 19.22 11.78 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.626 1.57 . . . . 0.0 112.034 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.76 96.98 2.12 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 tp -49.22 -49.81 41.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 124.867 1.354 . . . . 0.0 111.454 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 16' ' ' ALA . 25.4 m -61.19 -41.41 96.77 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.857 0.863 . . . . 0.0 111.66 -176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.22 91.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.458 0.703 . . . . 0.0 110.955 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -73.61 -42.69 61.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.41 0.684 . . . . 0.0 111.813 -177.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 34' ' ' PHE . 85.1 mt -61.04 -49.07 78.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.735 0.814 . . . . 0.0 110.146 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.2 t -71.2 -26.03 62.77 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.272 0.983 . . . . 0.0 111.101 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.3 -44.11 63.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 84.1 t80 -63.28 -51.64 65.28 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 124.421 1.076 . . . . 0.0 110.914 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' HG2' ' H ' ' A' ' 14' ' ' CYS . 2.1 pp20? -68.1 -32.67 73.14 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.407 -177.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.59 -45.08 84.61 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.634 0.584 . . . . 0.0 111.441 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.05 -19.29 63.29 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.009 0.193 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -85.2 -36.8 20.76 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 29.4 mm-40 -65.55 -48.01 73.9 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.992 0.517 . . . . 0.0 109.831 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.1 t 63.26 113.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 O-C-N 124.71 1.256 . . . . 0.0 111.106 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -64.96 -25.63 67.96 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.654 0.382 . . . . 0.0 111.779 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.7 m -73.93 -20.62 60.32 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.202 1.001 . . . . 0.0 110.789 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.77 169.1 18.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.332 0.653 . . . . 0.0 110.874 175.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -87.08 89.83 8.14 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 121.434 0.635 . . . . 0.0 110.129 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.96 138.77 82.33 Favored Pre-proline 0 CA--C 1.55 0.944 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.58 -48.78 19.52 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.122 2.548 . . . . 0.0 112.237 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -148.15 161.27 41.78 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.427 1.091 . . . . 0.0 109.411 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.68 139.23 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -72.4 -62.39 1.46 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -161.45 156.72 24.0 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.96 0.504 . . . . 0.0 110.173 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.54 163.89 31.34 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.404 1.082 . . . . 0.0 108.766 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.37 81.15 0.72 Allowed Glycine 0 C--N 1.348 1.222 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 171.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -74.5 154.89 38.48 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.126 0.971 . . . . 0.0 111.297 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 CA-C-O 119.313 -0.715 . . . . 0.0 111.557 177.269 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.886 0.374 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.59 -73.85 0.51 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.109 0.964 . . . . 0.0 108.484 174.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 49.63 76.36 0.14 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.754 1.222 . . . . 0.0 111.3 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.0 p -67.82 93.93 0.43 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.325 0.65 . . . . 0.0 111.098 -170.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 76.8 m95 64.69 -167.98 0.21 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.748 1.219 . . . . 0.0 112.003 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.84 87.76 2.77 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.75 162.65 5.07 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.127 0.971 . . . . 0.0 112.491 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.0 mt -57.02 113.57 1.75 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.132 0.973 . . . . 0.0 111.583 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.8 tp -73.43 -25.15 60.39 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.148 0.979 . . . . 0.0 110.775 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -72.48 163.43 28.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.159 0.584 . . . . 0.0 110.722 173.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 71.4 93.41 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.549 1.54 . . . . 0.0 110.924 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.39 -10.62 12.15 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.782 2.321 . . . . 0.0 113.073 170.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.7 ttp -75.72 -25.82 56.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.053 0.941 . . . . 0.0 111.777 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 t -67.0 -17.29 64.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.374 0.67 . . . . 0.0 112.086 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 54' ' ' TRP . 6.8 tt -69.62 107.62 3.51 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 173.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -105.82 118.97 37.96 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 174.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -44.64 67.02 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.819 0.848 . . . . 0.0 112.541 -176.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.23 -39.34 92.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.47 0.708 . . . . 0.0 111.013 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.39 -43.62 69.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.2 0.6 . . . . 0.0 111.289 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 56' ' ' LEU . 67.0 t -67.1 -36.56 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.735 0.814 . . . . 0.0 110.131 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.82 -45.09 87.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.811 0.844 . . . . 0.0 109.987 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 t -67.97 -43.18 79.59 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.747 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -38.33 84.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 111.31 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -62.15 -59.3 5.26 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.617 0.573 . . . . 0.0 109.457 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.87 -40.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 124.118 0.967 . . . . 0.0 111.785 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttp-105 -65.93 -43.01 89.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.629 0.772 . . . . 0.0 111.008 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -80.54 -35.97 33.74 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.33 0.652 . . . . 0.0 111.853 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -94.58 -25.56 16.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.762 0.825 . . . . 0.0 111.72 -173.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.03 23.81 75.3 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.081 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.89 173.16 12.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.56 0.744 . . . . 0.0 111.641 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.3 155.85 42.23 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -60.8 -34.94 90.84 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.419 2.746 . . . . 0.0 113.188 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.79 -50.86 33.07 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 123.288 0.367 . . . . 0.0 112.499 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.7 -43.8 93.93 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.221 1.008 . . . . 0.0 110.731 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.96 39.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.247 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -42.72 81.22 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.449 1.1 . . . . 0.0 111.092 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.61 -52.13 66.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.134 0.973 . . . . 0.0 110.864 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 86.5 mt -64.3 -42.83 96.16 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.31 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.85 -48.81 80.05 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.292 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -56.19 -38.85 71.51 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 123.382 0.673 . . . . 0.0 112.285 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.52 -20.67 72.0 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.387 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 65.7 mmtt -106.95 13.75 27.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.907 0.883 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 63.9 37.57 9.45 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.528 1.156 . . . . 0.0 109.817 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.412 ' HB3' HD21 ' A' ' 25' ' ' LEU . 76.9 m95 55.6 23.02 5.68 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.99 1.716 . . . . 0.0 113.468 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.91 115.31 17.55 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.0 tp -55.3 -47.44 75.56 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.38 1.05 . . . . 0.0 111.31 -177.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.6 m -64.37 -46.08 84.93 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.177 0.991 . . . . 0.0 112.077 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.33 72.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.869 0.867 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.77 -38.14 64.77 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.521 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.1 mt -61.33 -46.37 90.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.451 0.7 . . . . 0.0 109.702 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m -62.7 -35.66 80.44 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.4 -37.55 63.35 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.411 0.685 . . . . 0.0 110.817 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 62.8 t80 -67.44 -49.52 63.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.85 -27.05 68.6 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 122.706 0.403 . . . . 0.0 110.57 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -61.26 -58.03 9.96 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.98 0.912 . . . . 0.0 110.359 171.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 pp -73.56 -15.59 61.28 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.035 0.534 . . . . 0.0 111.359 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -80.17 -36.64 34.77 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.756 0.822 . . . . 0.0 110.003 177.34 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -52.56 -66.96 0.29 Allowed 'General case' 0 C--N 1.36 1.055 0 O-C-N 125.063 1.477 . . . . 0.0 111.479 -166.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 72' ' ' ALA . 12.2 t 48.84 52.44 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 C-N-CA 124.657 1.183 . . . . 0.0 110.919 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m80 58.64 37.22 25.29 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.312 1.045 . . . . 0.0 111.699 -176.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.56 ' HB ' HD23 ' A' ' 74' ' ' LEU . 6.0 m 56.2 71.92 0.53 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.109 1.364 . . . . 0.0 110.457 -172.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -62.91 112.71 2.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.324 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 68.18 92.88 0.08 Allowed 'General case' 0 C--N 1.353 0.756 0 O-C-N 125.454 1.721 . . . . 0.0 109.674 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD23 ' HB ' ' A' ' 71' ' ' THR . 1.2 pp -115.82 141.69 27.91 Favored Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 123.591 0.756 . . . . 0.0 109.928 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.52 -46.44 11.79 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 122.627 2.218 . . . . 0.0 111.698 170.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -141.1 161.04 38.81 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.444 1.098 . . . . 0.0 108.992 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.11 146.65 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 122.263 0.225 . . . . 0.0 110.439 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -130.74 119.76 22.81 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -167.66 90.03 0.32 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.317 1.047 . . . . 0.0 108.236 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -110.69 -11.88 14.37 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.095 0.958 . . . . 0.0 111.067 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.38 -49.55 0.54 Allowed Glycine 0 C--N 1.345 1.046 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -57.27 3.84 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 177.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 CA-C-O 118.822 -0.988 . . . . 0.0 112.734 177.656 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.511 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 57.2 p . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.96 168.99 18.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.638 0.775 . . . . 0.0 111.191 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.68 106.57 5.49 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.369 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 60.3 m -140.67 106.28 5.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.16 0.584 . . . . 0.0 110.306 -173.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -72.91 140.17 47.32 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.357 0.663 . . . . 0.0 110.095 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.97 -70.98 0.75 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.244 0.618 . . . . 0.0 110.159 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' H ' ' H ' ' A' ' 18' ' ' LEU . . . -162.26 -10.73 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -173.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' H ' ' H ' ' A' ' 17' ' ' ALA . 6.2 mp 65.5 113.61 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.626 1.17 . . . . 0.0 110.325 -176.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.0 mt 76.07 -49.54 0.6 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.891 1.676 . . . . 0.0 111.67 -176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -68.83 100.94 1.25 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.417 0.687 . . . . 0.0 109.309 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.1 115.15 61.66 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 123.493 0.717 . . . . 0.0 110.035 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.89 -1.04 7.24 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.995 2.464 . . . . 0.0 113.476 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.0 mmm -105.75 -87.25 0.46 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.772 0.429 . . . . 0.0 110.135 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 t -173.24 -49.02 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -130.0 101.41 5.82 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 161.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -97.13 110.43 22.98 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 11' ' ' SER . 61.1 mtt -62.6 -21.98 66.04 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.086 0.954 . . . . 0.0 113.457 -171.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 8.7 t70 -69.74 -52.99 20.58 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.13 73.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.638 0.775 . . . . 0.0 112.482 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -73.65 -39.79 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.739 0.816 . . . . 0.0 109.937 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.96 -51.64 63.4 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -50.4 -49.29 54.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.548 1.539 . . . . 0.0 112.223 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.1 -48.6 51.37 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.867 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.59 -50.2 73.91 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.766 0.666 . . . . 0.0 110.751 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.1 -47.13 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.603 0.761 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -73.9 -29.44 62.07 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.066 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -77.5 -54.63 6.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.316 0.646 . . . . 0.0 110.786 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.489 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 70.9 p -85.67 -30.17 23.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.53 60.7 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.556 -174.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 144.92 30.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.421 0.688 . . . . 0.0 110.03 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.35 157.85 89.21 Favored Pre-proline 0 N--CA 1.483 1.205 0 CA-C-O 118.478 -0.772 . . . . 0.0 108.964 -175.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -59.63 -32.21 95.58 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 123.2 2.6 . . . . 0.0 113.531 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.48 -52.49 30.33 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.32 -33.69 76.06 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.033 0.933 . . . . 0.0 110.536 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -56.68 9.35 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.699 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.37 -39.42 67.17 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.432 1.083 . . . . 0.0 110.658 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 -49.07 77.34 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.632 0.773 . . . . 0.0 111.402 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.44 -35.29 70.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.125 0.57 . . . . 0.0 110.791 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.9 mt -63.73 -52.25 61.32 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.734 0.814 . . . . 0.0 110.143 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -63.96 -24.19 67.63 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.904 0.481 . . . . 0.0 111.658 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.11 -27.15 74.1 Favored Glycine 0 C--N 1.35 1.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.895 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 46.4 mmtm -105.93 13.63 29.12 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.361 1.064 . . . . 0.0 112.414 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.7 36.38 3.64 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 124.252 1.021 . . . . 0.0 110.318 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.474 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 75.7 m95 60.22 14.59 4.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.231 1.812 . . . . 0.0 113.958 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.96 110.95 6.8 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 tp -52.9 -49.75 65.29 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 m -60.14 -48.6 81.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.161 0.985 . . . . 0.0 111.939 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.1 72.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.79 67.75 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.336 0.398 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.55 -52.82 63.83 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.718 0.807 . . . . 0.0 109.071 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.1 t -56.48 -42.17 77.82 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 124.898 1.374 . . . . 0.0 111.129 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 16.3 t70 -61.5 -57.55 11.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.489 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 58.6 t80 -61.58 -46.53 89.49 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.753 0.658 . . . . 0.0 110.701 -176.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -69.31 -19.26 63.88 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.384 0.427 . . . . 0.0 111.291 -175.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.31 -53.86 7.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.46 0.704 . . . . 0.0 109.736 173.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.74 -26.15 63.25 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -172.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -73.16 -22.16 60.55 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.376 0.271 . . . . 0.0 111.104 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -67.51 -43.41 80.92 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.379 0.672 . . . . 0.0 110.69 175.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t 72.98 -11.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.394 0 C-N-CA 125.124 1.37 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -71.63 79.88 0.82 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 124.148 0.979 . . . . 0.0 109.735 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t 175.01 -55.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.42 1.888 . . . . 0.0 106.629 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 43.56 27.1 0.14 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.62 1.568 . . . . 0.0 113.144 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -115.96 83.15 1.89 Allowed 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.034 0.934 . . . . 0.0 108.814 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -166.53 159.48 11.82 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 113.916 -1.493 . . . . 0.0 107.582 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -60.45 112.7 1.4 Allowed 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 122.071 1.847 . . . . 0.0 111.354 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -84.89 46.42 1.26 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.748 0.819 . . . . 0.0 111.508 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.9 p -60.65 134.37 26.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.963 0.905 . . . . 0.0 109.701 171.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -61.27 -53.23 59.48 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.7 t30 65.76 156.02 0.09 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.211 1.404 . . . . 0.0 112.824 170.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.49 121.82 19.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.544 0.738 . . . . 0.0 110.465 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -160.04 -105.06 0.2 Allowed Glycine 0 C--N 1.338 0.694 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.28 109.78 19.19 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 177.758 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.243 0.756 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.62 101.87 3.14 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.947 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -157.32 163.82 38.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.149 0.58 . . . . 0.0 110.928 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.02 -49.01 0.09 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.708 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 73.1 m95 65.05 173.29 0.21 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.697 1.599 . . . . 0.0 111.861 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.76 -62.23 0.17 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.138 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.68 27.43 15.85 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.936 0.895 . . . . 0.0 111.566 -175.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.88 117.28 28.59 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.78 0.832 . . . . 0.0 110.252 -174.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -122.03 109.45 14.59 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.191 -1.041 . . . . 0.0 108.191 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.33 -41.01 94.41 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.364 0.666 . . . . 0.0 110.515 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -96.44 153.33 38.93 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 124.791 1.237 . . . . 0.0 109.712 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.95 -10.69 18.12 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 123.016 2.477 . . . . 0.0 114.122 -173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ttt -166.47 -59.12 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.5 0.72 . . . . 0.0 109.733 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.5 m -147.59 -65.1 0.26 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 54' ' ' TRP . 7.3 tt -173.49 125.42 0.4 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -111.89 102.43 10.68 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -53.19 -37.5 62.0 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.262 1.025 . . . . 0.0 112.577 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.55 -44.82 77.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.146 0.579 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.68 82.06 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.455 . . . . 0.0 111.085 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.1 -38.28 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.463 1.105 . . . . 0.0 110.701 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.62 -50.56 62.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.099 0.56 . . . . 0.0 109.573 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -60.7 -41.01 94.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.819 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.89 -45.53 74.18 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.584 0.754 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.32 -55.85 29.66 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.798 0.686 . . . . 0.0 109.937 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.09 -39.26 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.05 0.94 . . . . 0.0 111.473 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -74.13 -33.39 63.53 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.019 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -78.55 -52.82 7.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.478 0.711 . . . . 0.0 110.848 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.4 p -82.53 -35.55 27.16 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.785 0.834 . . . . 0.0 111.277 -172.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.4 5.03 76.26 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.575 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.509 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -75.65 161.92 28.69 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.818 0.847 . . . . 0.0 111.079 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.15 157.16 85.43 Favored Pre-proline 0 N--CA 1.487 1.423 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.847 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.01 -29.8 66.43 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 123.003 2.469 . . . . 0.0 113.814 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.66 47.89 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD23 ' HB1' ' A' ' 40' ' ' ALA . 62.2 tp -63.7 -41.12 98.15 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.195 0.998 . . . . 0.0 109.82 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -54.55 45.16 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -39.49 78.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.533 1.133 . . . . 0.0 111.565 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.94 -47.19 86.02 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.679 0.791 . . . . 0.0 110.864 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.9 mt -69.63 -43.05 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.236 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.19 -56.68 17.96 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.879 0.872 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 87.3 mt-10 -59.68 -29.97 68.45 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.368 0.667 . . . . 0.0 112.193 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.65 92.3 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.638 172.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -99.81 16.32 24.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.28 1.032 . . . . 0.0 111.965 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t30 63.56 44.18 5.38 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.145 0.978 . . . . 0.0 110.405 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.452 ' HB3' HD21 ' A' ' 25' ' ' LEU . 92.4 m95 53.22 20.5 1.87 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.966 1.706 . . . . 0.0 114.459 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.39 102.85 3.86 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -49.9 -50.84 44.63 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.778 1.299 . . . . 0.0 111.279 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -63.11 -42.75 99.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.887 0.875 . . . . 0.0 111.732 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.3 74.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.56 0.744 . . . . 0.0 111.513 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.24 -37.85 66.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.475 0.484 . . . . 0.0 111.002 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.69 -47.05 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.481 0.712 . . . . 0.0 109.489 173.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 m -63.27 -34.09 76.91 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.18 -52.15 37.63 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.604 0.762 . . . . 0.0 110.469 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.26 -48.14 81.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.046 0.938 . . . . 0.0 111.114 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 11.4 pt-20 -66.72 -41.41 87.97 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.61 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.97 -46.82 85.92 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 123.385 0.674 . . . . 0.0 111.413 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.55 -29.49 68.89 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.361 0.413 . . . . 0.0 110.117 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -84.84 -3.89 58.85 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 26.4 mm-40 -71.74 -62.33 1.46 Allowed 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 118.94 0.791 . . . . 0.0 109.434 174.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 t 57.2 52.73 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.385 1.074 . . . . 0.0 110.03 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -82.26 -46.19 14.0 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.7 m -87.89 -35.43 17.73 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.516 0.726 . . . . 0.0 110.191 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 67.56 7.91 5.96 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 125.061 1.345 . . . . 0.0 112.569 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -116.09 109.23 17.21 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.515 1.126 . . . . 0.0 108.845 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -146.99 135.16 10.75 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 123.855 0.862 . . . . 0.0 108.968 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.42 101.52 0.87 Allowed 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.894 2.396 . . . . 0.0 112.366 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -94.87 157.69 15.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.282 0.633 . . . . 0.0 109.917 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.97 159.6 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.278 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -87.18 26.16 1.24 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.718 0.807 . . . . 0.0 110.511 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.0 t30 67.61 175.04 0.26 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.806 1.242 . . . . 0.0 109.107 -165.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -66.11 138.68 57.9 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 167.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.79 154.45 51.17 Favored Glycine 0 C--N 1.347 1.168 0 O-C-N 123.37 0.418 . . . . 0.0 112.415 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.0 103.37 0.93 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.789 0.436 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.096 0 CA-C-O 118.781 -1.011 . . . . 0.0 111.085 -175.569 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.87 135.33 33.7 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.62 0.768 . . . . 0.0 110.6 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -155.95 -46.68 0.08 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.73 1.212 . . . . 0.0 108.64 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m 58.51 93.4 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.487 1.515 . . . . 0.0 113.423 167.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -92.6 77.8 4.94 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.99 85.01 0.52 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.242 0.617 . . . . 0.0 109.401 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.89 97.01 3.32 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.869 0.467 . . . . 0.0 109.964 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -136.07 73.44 1.46 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 171.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -109.12 124.36 50.68 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 70.77 155.0 0.14 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.227 1.411 . . . . 0.0 110.053 -170.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.98 119.16 73.78 Favored Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 122.818 0.447 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.53 -12.82 11.15 Favored 'Trans proline' 0 CA--C 1.555 1.559 0 C-N-CA 122.061 1.84 . . . . 0.0 110.827 164.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.8 ttt -173.46 130.86 0.45 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.135 1.774 . . . . 0.0 106.563 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -56.42 -46.1 80.4 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.408 0.683 . . . . 0.0 111.047 -173.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 54' ' ' TRP . 7.4 tt -124.65 102.83 7.79 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 167.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.5 t70 -91.66 98.97 11.96 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 mtt -54.79 -34.52 62.77 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.897 0.879 . . . . 0.0 112.734 -174.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -65.31 -46.47 80.22 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.822 0.449 . . . . 0.0 110.347 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.92 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.156 0.582 . . . . 0.0 111.673 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' ASP . 96.4 t -69.9 -45.35 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.516 0.726 . . . . 0.0 110.465 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.14 -47.82 69.9 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.448 0.699 . . . . 0.0 110.661 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.4 t -62.54 -45.51 92.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.689 0.796 . . . . 0.0 111.544 -177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.46 -46.13 87.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.131 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.38 -57.96 10.6 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.968 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.52 -41.37 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 124.454 1.102 . . . . 0.0 111.452 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -67.01 -39.02 86.98 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.047 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.6 m -87.59 -42.42 12.73 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.085 0.554 . . . . 0.0 112.19 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -87.86 -28.83 21.35 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.613 0.765 . . . . 0.0 111.857 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.04 13.98 76.06 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.938 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.6 154.28 28.84 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.472 0.709 . . . . 0.0 110.548 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.94 159.14 83.61 Favored Pre-proline 0 CA--C 1.557 1.223 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -57.35 -35.05 98.86 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.058 2.505 . . . . 0.0 113.522 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -48.65 26.7 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.403 -0.362 . . . . 0.0 113.022 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.25 -43.15 99.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.931 0.892 . . . . 0.0 110.157 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.91 14.93 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.982 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.96 -42.27 68.74 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.53 177.087 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.34 -48.33 80.27 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 123.892 0.745 . . . . 0.0 111.16 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -66.78 -34.19 77.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.85 0.46 . . . . 0.0 110.207 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -42.46 96.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.519 175.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 55.3 mt-10 -60.56 -33.7 73.08 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 122.649 0.379 . . . . 0.0 111.32 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.88 -23.57 75.81 Favored Glycine 0 C--N 1.349 1.25 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.515 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 41.1 mmtm -109.24 9.14 25.98 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.512 0.725 . . . . 0.0 112.504 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 58.43 40.19 24.4 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 123.016 1.388 . . . . 0.0 110.239 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' HB3' HD21 ' A' ' 25' ' ' LEU . 64.0 m95 60.37 30.85 20.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.931 2.092 . . . . 0.0 113.461 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.46 118.1 19.57 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.21 -58.29 8.93 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.903 . . . . 0.0 110.861 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -62.84 -40.1 96.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.741 0.816 . . . . 0.0 112.316 -171.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.69 83.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.587 0.755 . . . . 0.0 111.237 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.2 63.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.67 -43.18 94.09 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.092 0.557 . . . . 0.0 109.589 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.8 m -70.53 -29.4 65.88 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.326 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.596 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.8 t70 -69.8 -50.26 44.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.624 0.77 . . . . 0.0 110.816 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -61.06 -49.49 77.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 110.926 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 12.6 pt-20 -66.4 -25.13 66.62 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.798 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -71.34 -51.47 24.08 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.101 0.56 . . . . 0.0 111.015 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.92 -25.01 66.15 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.017 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -76.47 -44.64 34.61 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.342 0.657 . . . . 0.0 111.067 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 5.4 tp60 -54.1 -62.41 1.67 Allowed 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.103 0.961 . . . . 0.0 111.441 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG13 ' HB2' ' A' ' 72' ' ' ALA . 97.5 t 61.93 -72.72 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 O-C-N 124.993 1.433 . . . . 0.0 111.157 -176.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 77.22 -54.84 0.55 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.959 1.704 . . . . 0.0 111.86 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.6 m -131.13 -51.78 1.03 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.138 0.575 . . . . 0.0 111.062 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.446 ' HB2' HG13 ' A' ' 69' ' ' VAL . . . 62.79 -81.03 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.786 1.235 . . . . 0.0 111.206 -170.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -151.91 9.43 0.52 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.469 0.708 . . . . 0.0 111.059 -176.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 3.9 pp -151.41 145.11 17.61 Favored Pre-proline 0 N--CA 1.482 1.156 0 C-N-CA 122.856 0.462 . . . . 0.0 111.454 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 13.9 Cg_exo -71.09 134.56 25.44 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 123.263 2.642 . . . . 0.0 112.369 177.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -169.11 19.1 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.225 1.01 . . . . 0.0 110.611 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.08 159.92 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.337 0.655 . . . . 0.0 109.24 -175.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -84.25 -90.76 0.09 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.727 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -166.22 107.03 0.69 Allowed 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.149 0.5 . . . . 0.0 111.612 -173.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -105.97 124.15 49.12 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.322 1.049 . . . . 0.0 109.062 173.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.9 -41.79 6.59 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 175.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.13 -68.26 0.2 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.442 0 CA-C-O 118.804 -0.998 . . . . 0.0 111.847 -175.314 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 62.47 17.87 9.89 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.533 1.133 . . . . 0.0 111.927 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.5 117.08 30.69 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.078 1.351 . . . . 0.0 109.444 -174.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.6 t -163.05 -163.34 0.84 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -177.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -68.77 87.7 0.35 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.464 0.649 . . . . 0.0 110.22 173.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.77 28.27 4.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.655 1.182 . . . . 0.0 108.698 173.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.14 -175.49 5.34 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.251 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -87.46 40.39 0.92 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.763 0.825 . . . . 0.0 110.061 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.4 tp -80.99 96.9 7.25 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.553 0.741 . . . . 0.0 109.027 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -87.39 88.47 7.69 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.104 0.561 . . . . 0.0 109.531 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.85 140.27 93.87 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.162 171.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -35.72 -52.84 0.91 Allowed 'Trans proline' 0 C--N 1.394 2.928 0 C-N-CA 124.983 3.789 . . . . 0.0 114.721 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.3 mtt -136.47 -72.21 0.45 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.674 0.389 . . . . 0.0 110.642 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.0 m 73.52 -56.36 0.65 Allowed 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 125.319 1.448 . . . . 0.0 111.351 -171.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 54' ' ' TRP . 6.3 tt -58.43 119.58 7.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.014 1.725 . . . . 0.0 111.311 -177.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.1 t70 -111.22 121.35 45.06 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.3 -45.8 72.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.822 0.849 . . . . 0.0 112.415 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.58 -34.2 71.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.527 0.731 . . . . 0.0 110.741 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.57 70.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.171 0.588 . . . . 0.0 111.308 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ASP . 59.3 t -68.69 -41.02 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.183 0.593 . . . . 0.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.64 -44.46 90.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.063 0.945 . . . . 0.0 110.329 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.1 t -65.83 -47.12 76.07 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.748 0.655 . . . . 0.0 110.352 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.16 -40.83 98.68 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.158 0.911 . . . . 0.0 110.593 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' HZ ' ' HB2' ' A' ' 63' ' ' TYR . 86.3 t80 -63.19 -51.92 64.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 123.923 0.764 . . . . 0.0 110.693 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 40' ' ' ALA . 71.3 t -64.07 -30.96 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.326 0.65 . . . . 0.0 110.807 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -73.94 -30.02 62.32 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.488 1.115 . . . . 0.0 111.389 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.2 p -91.82 -59.11 2.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.219 0.608 . . . . 0.0 111.176 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -76.73 -26.31 54.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.829 0.851 . . . . 0.0 112.281 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.2 21.74 69.73 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.413 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 35' ' ' VAL . . . -70.42 169.9 13.05 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.007 0.923 . . . . 0.0 111.606 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 5.4 pt-20 -85.53 156.31 59.15 Favored Pre-proline 0 CA--C 1.563 1.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 175.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -59.25 -39.8 74.7 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 123.138 2.559 . . . . 0.0 113.683 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.97 -48.7 38.97 Favored Glycine 0 C--N 1.348 1.224 0 O-C-N 123.511 0.507 . . . . 0.0 113.376 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 58.7 tp -58.03 -45.71 86.52 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.121 0.968 . . . . 0.0 110.19 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -55.42 32.93 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.095 0.958 . . . . 0.0 111.636 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.92 -37.35 73.91 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.368 1.067 . . . . 0.0 111.356 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.47 -44.17 97.04 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.875 0.87 . . . . 0.0 110.589 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 14.0 mt -71.01 -39.45 72.38 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.67 -45.75 88.7 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.206 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.42 -25.22 66.65 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.438 0.563 . . . . 0.0 111.089 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.48 3.73 86.29 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-O 119.818 -0.434 . . . . 0.0 113.316 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.669 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 40.9 mmtm -132.4 13.02 4.58 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.177 0.991 . . . . 0.0 112.082 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 t30 64.9 24.72 12.74 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 122.262 1.03 . . . . 0.0 110.564 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' HB3' HD21 ' A' ' 25' ' ' LEU . 79.5 m95 67.87 24.38 8.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.904 2.082 . . . . 0.0 111.448 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -79.88 112.84 17.56 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.423 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 62.3 tp -54.44 -49.67 69.47 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.645 1.216 . . . . 0.0 111.623 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 m -62.22 -40.96 97.86 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.318 1.047 . . . . 0.0 111.709 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 52' ' ' LYS . . . -74.11 -31.8 62.93 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.341 1.056 . . . . 0.0 110.881 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.6 69.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 94.1 mt -61.04 -45.63 94.0 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.804 0.841 . . . . 0.0 109.281 174.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 m -62.72 -38.63 91.26 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.227 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.669 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.4 t70 -67.8 -42.51 81.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.861 0.864 . . . . 0.0 110.842 -178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.475 ' HB2' ' HZ ' ' A' ' 34' ' ' PHE . 78.7 t80 -65.48 -52.76 50.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.255 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.48 -22.86 66.57 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.768 0.667 . . . . 0.0 110.935 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -76.04 -47.06 26.18 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 124.026 0.829 . . . . 0.0 111.194 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.6 -24.61 56.56 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -15.17 41.01 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.131 0.573 . . . . 0.0 110.048 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -64.19 -16.32 61.72 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.401 1.081 . . . . 0.0 111.088 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.835 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 14.1 m -60.01 78.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.433 0 CA-C-O 122.516 1.151 . . . . 0.0 112.467 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -77.57 -22.25 51.24 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.567 1.147 . . . . 0.0 110.192 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -93.73 -20.73 19.85 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.225 1.01 . . . . 0.0 110.783 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.835 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . . . -106.68 -146.74 0.4 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.747 0.819 . . . . 0.0 109.244 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -72.22 84.89 1.05 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.464 0.575 . . . . 0.0 110.275 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.5 pt? -80.21 143.95 57.44 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 123.673 0.789 . . . . 0.0 109.989 175.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.59 136.88 78.43 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.343 2.695 . . . . 0.0 113.005 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -78.52 148.79 33.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.793 0.437 . . . . 0.0 110.702 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.55 134.25 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.729 0.812 . . . . 0.0 110.505 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -99.59 110.22 22.67 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.526 0.731 . . . . 0.0 109.668 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -69.25 157.98 35.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.441 0.697 . . . . 0.0 111.576 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -112.82 121.69 45.44 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.169 0.988 . . . . 0.0 108.748 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.39 -53.98 41.44 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.821 0.7 . . . . 0.0 111.517 174.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -90.23 86.05 6.41 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.966 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 178.323 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.578 0.228 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.88 -72.83 0.63 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.801 0.84 . . . . 0.0 109.629 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 50.55 102.48 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.662 1.585 . . . . 0.0 111.948 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.4 m -69.05 76.36 0.33 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.289 0.636 . . . . 0.0 111.273 -176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 55.45 -166.73 0.1 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.363 1.465 . . . . 0.0 112.921 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.24 -53.21 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -171.36 121.92 0.53 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.874 1.27 . . . . 0.0 107.956 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 tp -67.85 96.07 0.56 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.9 tp -160.93 91.33 0.88 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.207 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -105.81 21.35 17.42 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.201 1.0 . . . . 0.0 108.336 173.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.12 81.21 51.52 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.1 0.96 . . . . 0.0 109.75 -168.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.42 ' HG3' ' HB2' ' A' ' 26' ' ' ASP . 80.0 Cg_endo -76.79 -33.53 2.87 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.364 2.042 . . . . 0.0 111.323 170.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 48.0 mtm -140.62 -63.35 0.48 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.6 m -150.72 -47.49 0.12 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.317 1.047 . . . . 0.0 108.794 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tt -145.86 150.9 37.0 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.17 0.988 . . . . 0.0 108.497 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' HB2' ' HG3' ' A' ' 22' ' ' PRO . 22.6 t70 -138.63 125.71 21.35 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 67.2 mtt -59.21 -42.44 90.98 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.885 0.874 . . . . 0.0 112.271 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.18 -42.97 79.18 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.847 0.459 . . . . 0.0 110.396 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.29 99.19 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.923 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.11 -43.44 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 C-N-CA 123.502 0.721 . . . . 0.0 111.309 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.34 -50.65 70.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.242 0.617 . . . . 0.0 110.423 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -67.37 -40.87 85.76 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.166 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.18 -29.66 61.86 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.013 0.525 . . . . 0.0 110.294 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.81 -53.57 48.78 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.09 -36.23 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.038 0.935 . . . . 0.0 111.22 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -63.34 -35.96 82.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.141 1.377 . . . . 0.0 111.616 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -85.29 -47.91 9.59 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.538 0.735 . . . . 0.0 111.562 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -93.58 -33.92 13.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.87 0.868 . . . . 0.0 112.248 -166.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.72 20.28 64.02 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.503 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.84 157.7 36.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.489 0.716 . . . . 0.0 110.703 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.02 157.07 83.83 Favored Pre-proline 0 CA--C 1.561 1.377 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -57.88 -39.34 87.54 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 123.085 2.524 . . . . 0.0 113.351 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -48.72 67.55 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.829 0.705 . . . . 0.0 112.842 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.92 -42.18 97.46 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.439 1.096 . . . . 0.0 110.739 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -54.79 41.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.054 0.942 . . . . 0.0 110.71 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -39.4 88.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.542 1.137 . . . . 0.0 111.121 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.75 -45.24 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.054 0.941 . . . . 0.0 110.915 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.1 mt -67.13 -41.63 85.84 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.001 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.49 -33.5 75.22 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.053 -176.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -66.48 -28.0 68.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.475 0.579 . . . . 0.0 111.017 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.37 -13.87 77.71 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.429 0.456 . . . . 0.0 113.005 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 72.3 mmtt -112.37 6.63 18.85 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.438 0.695 . . . . 0.0 112.374 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t30 64.75 25.93 13.0 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.165 0.986 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 71.08 19.05 5.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.3 119.03 18.85 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.98 -52.35 65.78 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.291 0.994 . . . . 0.0 110.722 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.9 m -61.74 -40.54 95.44 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.339 1.024 . . . . 0.0 111.959 -172.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.58 90.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.833 0.853 . . . . 0.0 110.864 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -37.76 63.42 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.638 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.6 -46.16 91.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.55 0.74 . . . . 0.0 109.726 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 t -64.05 -33.78 76.54 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.961 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -73.1 -40.7 64.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.523 0.729 . . . . 0.0 111.654 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.79 -47.49 74.98 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.679 0.391 . . . . 0.0 110.924 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.71 -24.04 65.34 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.38 -45.79 61.96 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 123.368 0.667 . . . . 0.0 111.243 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.36 -26.32 60.96 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.53 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -74.75 -24.06 58.65 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.897 0.879 . . . . 0.0 111.022 172.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -74.02 -20.33 60.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.182 0.593 . . . . 0.0 110.96 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.3 t -75.75 90.9 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -128.92 83.92 2.19 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 169.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.3 m 65.78 15.32 10.0 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 124.014 0.925 . . . . 0.0 111.289 -176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.41 76.88 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.584 0.707 . . . . 0.0 110.716 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -139.68 101.35 4.18 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 168.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.6 mt 67.05 141.84 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.72 0 C-N-CA 124.346 1.058 . . . . 0.0 111.401 -175.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.96 93.45 0.39 Allowed 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.627 2.218 . . . . 0.0 111.315 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -122.07 99.39 6.41 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.18 0.992 . . . . 0.0 108.52 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.8 t -75.2 96.7 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -81.31 90.32 6.13 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 173.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -167.29 108.11 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.46 0.704 . . . . 0.0 109.301 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -128.13 113.54 15.87 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 171.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 165.52 96.97 0.11 Allowed Glycine 0 C--N 1.341 0.81 0 O-C-N 123.586 0.554 . . . . 0.0 112.35 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -71.98 142.31 49.39 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.096 0.558 . . . . 0.0 110.092 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.133 0 CA-C-O 118.968 -0.907 . . . . 0.0 112.827 179.139 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.64 75.22 10.32 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.256 0.622 . . . . 0.0 110.94 -176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 49.42 74.78 0.18 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.006 1.322 . . . . 0.0 112.215 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.6 m -65.82 -23.69 66.74 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.456 172.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -89.64 24.73 2.22 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.289 1.035 . . . . 0.0 111.698 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.01 50.45 1.73 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.574 0.702 . . . . 0.0 110.497 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.02 3.23 52.38 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.258 1.023 . . . . 0.0 110.459 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pp -84.34 176.75 8.5 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.537 1.135 . . . . 0.0 111.455 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 tp 56.92 82.18 0.12 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.167 1.387 . . . . 0.0 112.066 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -96.49 -36.35 10.81 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.4 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -153.88 146.98 17.94 Favored Pre-proline 0 N--CA 1.481 1.093 0 C-N-CA 124.185 0.994 . . . . 0.0 108.503 170.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.82 -25.04 8.06 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.469 2.113 . . . . 0.0 113.882 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.2 ttt -164.13 -45.72 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.044 0.938 . . . . 0.0 109.02 -175.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -152.04 -63.9 0.17 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.91 0.884 . . . . 0.0 109.176 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 54' ' ' TRP . 54.1 tp -162.02 118.03 2.02 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.796 0.838 . . . . 0.0 109.986 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -120.51 101.61 7.88 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 167.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtt -57.53 -33.46 68.11 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.894 0.878 . . . . 0.0 112.054 -173.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.81 -45.67 88.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.393 0.677 . . . . 0.0 110.651 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.49 76.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.277 0.631 . . . . 0.0 111.493 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.92 -34.96 71.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 123.243 0.617 . . . . 0.0 110.28 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.17 -50.73 52.57 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.282 1.033 . . . . 0.0 110.936 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -65.41 -45.98 81.79 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.534 0.734 . . . . 0.0 111.143 -173.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.16 -34.89 78.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.607 0.763 . . . . 0.0 111.579 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.31 -57.4 11.51 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.529 0.332 . . . . 0.0 110.412 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -43.77 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.317 1.047 . . . . 0.0 111.34 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -68.62 -33.15 73.53 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.578 0.751 . . . . 0.0 111.852 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 t -81.02 -50.9 9.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.94 0.496 . . . . 0.0 111.288 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 68.3 p -85.92 -30.8 22.55 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.774 0.83 . . . . 0.0 112.133 -169.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.34 19.55 62.16 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.539 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.73 159.25 28.04 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.345 0.658 . . . . 0.0 111.15 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -86.58 155.59 56.45 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.49 -41.28 79.51 Favored 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 123.497 2.798 . . . . 0.0 113.767 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.03 -48.34 48.23 Favored Glycine 0 C--N 1.345 1.078 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.774 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 tp -59.85 -45.39 92.58 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.696 0.798 . . . . 0.0 110.417 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.2 -57.87 10.72 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.449 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -39.18 93.99 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.406 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.8 -39.58 93.82 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.354 0.662 . . . . 0.0 110.827 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.7 mt -66.61 -47.19 73.47 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.237 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.0 -42.41 85.1 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.119 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.01 -39.83 87.17 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.866 0.303 . . . . 0.0 111.087 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.59 -21.08 79.81 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.336 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' A' ' 59' ' ' ALA . 11.1 mmpt? -100.35 18.04 19.93 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.1 t30 63.22 22.34 13.3 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.413 1.085 . . . . 0.0 111.286 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.472 ' HB3' HD11 ' A' ' 25' ' ' LEU . 83.6 m95 56.02 28.57 12.98 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.466 1.906 . . . . 0.0 112.481 -173.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.22 115.26 23.66 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 65.3 tp -54.79 -50.52 68.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.246 1.018 . . . . 0.0 111.482 -176.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.9 m -62.66 -36.77 83.93 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.534 0.733 . . . . 0.0 111.518 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.44 92.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.546 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.529 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -71.89 -37.78 70.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.575 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 91.8 mt -61.17 -47.5 85.89 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.27 0.628 . . . . 0.0 109.369 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 t -64.19 -42.05 96.82 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.808 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 24.9 t70 -71.82 -44.89 63.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.856 0.463 . . . . 0.0 110.711 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 80.1 t80 -59.62 -52.07 67.1 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.793 0.683 . . . . 0.0 110.285 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.67 -32.51 72.69 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 123.697 0.623 . . . . 0.0 110.205 -175.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 34.8 tt0 -66.03 -45.78 80.24 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.602 0.761 . . . . 0.0 111.951 177.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.37 -28.35 56.74 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.65 -19.63 29.0 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.206 0.203 . . . . 0.0 111.233 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' HA ' HD11 ' A' ' 74' ' ' LEU . 16.4 mm-40 -48.92 -56.39 8.98 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.735 1.214 . . . . 0.0 111.656 172.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 t 53.02 36.69 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 CA-C-N 114.271 -1.331 . . . . 0.0 109.214 -168.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 60.21 47.49 9.23 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.731 1.612 . . . . 0.0 111.004 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 m 60.76 38.22 18.33 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.339 1.456 . . . . 0.0 111.37 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.31 -55.96 5.71 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.136 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -142.42 93.09 2.49 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.486 HD11 ' HA ' ' A' ' 68' ' ' GLN . 94.8 mt -135.01 138.98 30.7 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 124.086 0.954 . . . . 0.0 110.347 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.87 115.57 2.89 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.444 2.096 . . . . 0.0 110.102 164.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -68.81 101.23 1.3 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.584 0.707 . . . . 0.0 110.921 -176.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.1 m -109.94 29.27 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 124.819 1.248 . . . . 0.0 109.675 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -67.11 -20.11 65.73 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.517 1.127 . . . . 0.0 111.428 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -63.94 -33.16 75.09 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.208 0.603 . . . . 0.0 111.433 173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 59.65 -178.41 0.09 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.882 1.273 . . . . 0.0 112.688 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.59 -63.97 4.27 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 113.108 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -137.66 96.92 3.33 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.622 1.169 . . . . 0.0 108.097 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.267 0 CA-C-O 118.698 -1.057 . . . . 0.0 111.487 174.303 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.72 0.295 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.12 101.25 2.73 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.312 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -40.83 79.37 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.441 1.096 . . . . 0.0 111.925 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.5 m 58.65 -169.34 0.13 Allowed 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 124.72 1.208 . . . . 0.0 113.064 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.7 m95 68.62 163.51 0.22 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.409 1.484 . . . . 0.0 112.148 174.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.37 36.23 1.65 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.538 0.735 . . . . 0.0 109.866 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.79 103.48 12.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.281 1.032 . . . . 0.0 110.439 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -159.81 159.58 32.8 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 123.72 0.808 . . . . 0.0 109.389 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -131.41 164.58 25.39 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.043 0.937 . . . . 0.0 110.169 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -88.23 86.94 7.16 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.433 0.635 . . . . 0.0 110.094 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -156.37 138.03 9.81 Favored Pre-proline 0 CA--C 1.543 0.681 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.91 -42.53 36.77 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.423 2.082 . . . . 0.0 112.728 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.5 mtt -94.53 -81.8 0.38 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.307 0.643 . . . . 0.0 109.665 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -162.24 -40.57 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.687 1.195 . . . . 0.0 108.515 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 30' ' ' VAL . 69.8 tp -157.35 130.89 7.95 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.884 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -127.73 96.52 4.54 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 166.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.9 mtt -52.96 -35.37 58.8 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.128 0.971 . . . . 0.0 113.26 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.09 -45.2 67.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.179 0.591 . . . . 0.0 110.188 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.64 82.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.259 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.477 HG21 HD12 ' A' ' 25' ' ' LEU . 77.7 t -70.98 -37.92 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.471 1.108 . . . . 0.0 110.597 -178.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.3 -49.97 69.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.229 0.612 . . . . 0.0 110.074 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.8 t -67.14 -38.49 85.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.112 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.71 -40.57 66.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.37 0.668 . . . . 0.0 110.078 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.47 -54.21 49.4 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.585 0.553 . . . . 0.0 109.557 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.65 -37.0 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.451 1.1 . . . . 0.0 111.545 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -74.17 -34.71 63.88 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.943 0.897 . . . . 0.0 111.588 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 m -87.0 -37.66 17.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.173 0.589 . . . . 0.0 111.785 -175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 p -96.15 -28.75 14.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.706 0.802 . . . . 0.0 111.558 -172.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 7.31 87.97 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.518 -173.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -74.87 154.02 38.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 109.94 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.19 158.79 81.46 Favored Pre-proline 0 CA--C 1.554 1.101 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.73 -30.3 84.74 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.987 2.458 . . . . 0.0 113.394 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -47.96 31.36 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.597 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 48.0 tp -62.46 -43.01 99.85 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.861 0.864 . . . . 0.0 110.093 176.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.85 16.95 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.311 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -55.64 -40.83 72.71 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.601 1.16 . . . . 0.0 111.227 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.35 -48.95 78.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.462 0.705 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 55.6 mt -69.39 -39.5 77.94 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.693 0.62 . . . . 0.0 110.216 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.15 -51.16 70.21 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.003 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG2' ' HE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -58.8 -34.54 71.6 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.107 0.563 . . . . 0.0 111.603 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.81 -22.74 78.26 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.617 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.642 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 44.6 mmtm -107.54 19.61 19.98 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.862 0.865 . . . . 0.0 112.734 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.75 31.74 14.07 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 122.714 1.245 . . . . 0.0 110.095 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.409 ' HE1' ' HG2' ' A' ' 50' ' ' GLU . 60.8 m95 57.32 18.3 4.25 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 126.498 1.919 . . . . 0.0 113.756 -175.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.83 112.31 12.09 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.5 -46.21 69.95 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.379 1.049 . . . . 0.0 111.377 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -62.21 -44.78 95.81 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.148 0.979 . . . . 0.0 111.875 -171.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.62 68.16 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.132 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.78 -35.15 64.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.294 0.638 . . . . 0.0 111.507 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.61 0.764 . . . . 0.0 109.689 175.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 t -73.55 -28.49 61.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.642 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 36.2 t70 -68.62 -46.52 69.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.404 0.682 . . . . 0.0 109.859 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.4 -51.22 70.29 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.067 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.34 -31.86 72.56 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 122.753 0.421 . . . . 0.0 110.619 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -70.42 -46.21 64.37 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.982 0.913 . . . . 0.0 110.582 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.61 -29.5 51.89 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 122.131 -0.356 . . . . 0.0 111.686 -175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -3.19 58.99 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 117.926 0.33 . . . . 0.0 110.811 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -64.82 -61.79 1.96 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.556 0.743 . . . . 0.0 109.697 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.7 t 52.25 100.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.388 1.475 . . . . 0.0 112.109 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -71.95 -21.98 61.52 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.883 0.873 . . . . 0.0 111.736 -171.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.6 t -92.5 1.89 56.99 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.526 0.731 . . . . 0.0 111.677 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.35 163.07 13.73 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.556 0.742 . . . . 0.0 110.802 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.94 39.55 1.27 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.754 0.822 . . . . 0.0 110.516 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.25 141.6 86.21 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 123.512 0.725 . . . . 0.0 110.916 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -81.76 50.45 3.49 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.359 2.706 . . . . 0.0 112.471 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -73.59 83.26 1.54 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.183 0.992 . . . . 0.0 110.115 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.9 m -103.09 152.4 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.018 0.927 . . . . 0.0 110.039 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -149.73 -41.08 0.14 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.319 0.648 . . . . 0.0 110.181 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -73.3 103.14 3.89 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.585 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -157.16 178.53 10.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.543 1.137 . . . . 0.0 109.634 -176.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.32 -21.89 32.64 Favored Glycine 0 C--N 1.346 1.127 0 N-CA-C 114.576 0.59 . . . . 0.0 114.576 168.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -115.7 143.44 45.37 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 117.796 0.798 . . . . 0.0 109.74 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 CA-C-O 119.254 -0.748 . . . . 0.0 112.106 179.282 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 121.21 0.529 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.06 139.51 32.3 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.459 1.103 . . . . 0.0 108.895 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.74 -72.36 0.24 Allowed 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -176.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.1 m -90.06 118.99 30.03 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.779 0.431 . . . . 0.0 110.458 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -75.12 -52.43 11.02 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.356 0.662 . . . . 0.0 109.812 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.74 26.79 15.09 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.65 1.219 . . . . 0.0 111.838 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.1 33.08 4.47 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.295 1.038 . . . . 0.0 111.253 -173.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.32 -29.47 57.31 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.995 0.918 . . . . 0.0 111.086 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.7 mt 69.88 103.77 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.852 1.261 . . . . 0.0 111.624 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -124.31 37.91 4.3 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.48 1.112 . . . . 0.0 110.13 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 2.6 p-10 -70.68 164.78 52.2 Favored Pre-proline 0 CA--C 1.567 1.628 0 C-N-CA 123.338 0.655 . . . . 0.0 110.151 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 21' ' ' ASP . 17.8 Cg_endo -55.74 -27.58 62.31 Favored 'Trans proline' 0 C--N 1.389 2.703 0 C-N-CA 123.21 2.606 . . . . 0.0 114.961 -176.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.1 mmt -116.91 -91.99 0.53 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 122.825 0.45 . . . . 0.0 110.379 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -171.67 14.13 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.309 1.043 . . . . 0.0 109.838 -173.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HG ' HG21 ' A' ' 30' ' ' VAL . 9.5 tt -131.02 106.17 8.22 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.828 0.851 . . . . 0.0 109.039 -166.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.45 117.47 28.39 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -55.83 -41.47 74.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.843 0.857 . . . . 0.0 112.653 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.78 -40.42 91.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.86 0.864 . . . . 0.0 111.25 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.22 71.31 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.971 0.508 . . . . 0.0 110.872 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 ' HG ' ' A' ' 25' ' ' LEU . 71.5 t -65.16 -33.91 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.474 1.11 . . . . 0.0 111.123 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -60.71 -46.79 89.06 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.759 173.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -65.86 -40.28 91.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.016 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.0 -47.16 86.98 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.531 0.733 . . . . 0.0 110.346 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.94 -59.18 5.79 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.644 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.1 t -55.8 -37.08 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.962 0.905 . . . . 0.0 111.837 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.67 -30.61 65.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.894 0.877 . . . . 0.0 111.253 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 m -89.64 -34.5 16.27 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.401 0.68 . . . . 0.0 112.225 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -102.7 -26.42 13.18 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.537 0.735 . . . . 0.0 112.308 -168.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.09 78.73 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.891 -173.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.51 162.55 28.7 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.486 0.714 . . . . 0.0 111.068 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.66 158.22 78.72 Favored Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -54.89 -38.7 92.56 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 123.156 2.571 . . . . 0.0 113.463 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.14 -50.51 45.3 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.122 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.64 -37.74 85.13 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.702 0.801 . . . . 0.0 110.239 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -55.94 27.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.928 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -37.91 81.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.231 1.012 . . . . 0.0 111.587 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.3 -50.57 69.53 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.459 0.704 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 87.5 mt -67.97 -40.75 83.11 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.627 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.98 -56.18 24.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.308 0.643 . . . . 0.0 110.965 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -60.97 -31.63 71.2 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.343 0.657 . . . . 0.0 112.085 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.83 -26.61 71.29 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.735 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 69.0 mmtt -109.18 21.08 17.59 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.526 0.73 . . . . 0.0 112.121 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 67.75 33.97 4.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.13 0.967 . . . . 0.0 110.512 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 60.81 12.2 3.65 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 125.948 1.699 . . . . 0.0 114.147 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.29 104.56 2.27 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.514 ' HB2' HG13 ' A' ' 30' ' ' VAL . 68.0 tp -49.44 -53.85 20.72 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.82 1.325 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -59.33 -42.35 91.28 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.189 0.995 . . . . 0.0 112.118 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.61 78.21 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.258 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.02 -40.14 68.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.789 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.1 mt -58.61 -45.54 88.94 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.623 0.769 . . . . 0.0 110.511 175.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -65.96 -36.9 84.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.375 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.76 -38.61 83.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.666 0.786 . . . . 0.0 110.555 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.96 -45.24 74.77 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.061 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.3 -17.7 61.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.198 0.199 . . . . 0.0 110.561 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.48 -47.61 54.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.179 0.592 . . . . 0.0 110.484 172.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.87 -25.91 60.29 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.533 0.333 . . . . 0.0 111.204 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -76.44 -24.98 53.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.2 0.6 . . . . 0.0 111.611 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.03 -62.1 2.1 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.813 0.845 . . . . 0.0 112.135 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t 57.61 37.84 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-O 122.291 1.043 . . . . 0.0 111.008 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -82.77 120.41 25.58 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.874 -176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 m 66.18 22.28 11.03 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 124.566 1.146 . . . . 0.0 111.36 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.26 165.98 25.35 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.68 0.792 . . . . 0.0 111.078 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -116.51 67.94 0.73 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.051 0.94 . . . . 0.0 110.459 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 7.2 mp -104.06 126.9 30.46 Favored Pre-proline 0 N--CA 1.479 0.983 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 4.8 Cg_exo -76.6 30.95 0.4 Allowed 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.64 2.893 . . . . 0.0 114.415 -177.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -71.05 -12.17 61.37 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.495 0.718 . . . . 0.0 111.417 174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.8 m -68.53 -10.26 12.77 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 124.421 1.088 . . . . 0.0 112.634 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -60.6 100.23 0.1 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.856 0.862 . . . . 0.0 110.537 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -167.16 139.6 3.4 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.107 0.963 . . . . 0.0 108.832 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.24 148.79 30.0 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 123.964 0.906 . . . . 0.0 109.483 174.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 165.94 80.53 0.04 OUTLIER Glycine 0 C--N 1.341 0.85 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.26 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -87.16 80.92 8.16 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.171 0.986 . . . . 0.0 109.861 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.813 -179.213 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.04 70.93 10.64 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -99.08 8.83 44.56 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.867 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.9 p -78.39 86.25 4.46 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.816 0.846 . . . . 0.0 110.366 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -131.53 148.98 52.67 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.282 0.633 . . . . 0.0 110.416 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.12 67.34 1.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.526 0.73 . . . . 0.0 109.361 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.53 123.93 29.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.912 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 tp -113.46 102.93 10.77 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -89.46 81.05 6.62 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.63 128.87 11.97 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.805 0.842 . . . . 0.0 109.683 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -69.08 150.02 97.59 Favored Pre-proline 0 C--O 1.245 0.839 0 C-N-CA 124.439 1.095 . . . . 0.0 111.04 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -51.76 -39.25 67.61 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 123.044 2.496 . . . . 0.0 113.315 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.4 mtp -98.48 -80.18 0.46 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.088 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -154.84 -53.38 0.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 tt -140.15 106.82 5.35 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 159.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -98.49 107.07 19.43 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.3 mtt -60.49 -28.02 68.03 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.39 -40.0 70.83 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.969 0.508 . . . . 0.0 109.659 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.17 -41.84 73.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.258 0.623 . . . . 0.0 110.59 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.96 -38.3 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.354 0.662 . . . . 0.0 110.838 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.1 tp -69.56 -50.82 41.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.886 0.474 . . . . 0.0 110.161 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -48.34 72.95 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.732 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.63 -31.07 68.96 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.542 0.737 . . . . 0.0 112.016 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -60.9 -56.14 24.73 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.01 -38.74 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.374 1.07 . . . . 0.0 111.874 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.58 -30.29 61.65 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.664 0.785 . . . . 0.0 111.498 -176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.4 t -89.99 -36.83 14.73 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.798 0.439 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.461 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 81.2 p -96.01 -34.09 11.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.354 0.662 . . . . 0.0 111.887 -171.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.1 20.8 60.14 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.596 -172.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.65 149.86 27.14 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.361 0.664 . . . . 0.0 110.338 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.77 158.46 84.71 Favored Pre-proline 0 CA--C 1.557 1.245 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -56.97 -36.81 99.4 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 123.383 2.722 . . . . 0.0 113.856 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -48.18 53.36 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.194 0.309 . . . . 0.0 112.942 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.31 -42.01 97.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.788 0.835 . . . . 0.0 110.202 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.33 -56.9 13.95 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.196 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -41.95 71.02 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.411 1.084 . . . . 0.0 111.681 178.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.6 -49.75 72.11 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.74 0.65 . . . . 0.0 111.041 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.2 mt -59.9 -50.19 74.75 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.681 0.613 . . . . 0.0 109.775 177.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -55.41 -54.02 49.03 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.066 0.854 . . . . 0.0 111.839 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 34.6 mt-10 -57.13 -33.95 67.89 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.667 0.387 . . . . 0.0 111.944 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.88 -27.78 71.71 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.739 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mmtt -100.95 14.59 31.4 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.315 0.646 . . . . 0.0 111.457 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 68.15 24.09 7.76 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.967 1.307 . . . . 0.0 112.305 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 82.7 m95 69.22 14.93 8.63 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 126.405 1.882 . . . . 0.0 112.747 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.19 107.76 3.35 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.0 tp -52.58 -56.93 11.87 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 110.668 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.6 m -60.97 -36.52 79.65 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.096 0.959 . . . . 0.0 112.423 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.61 90.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.081 0.552 . . . . 0.0 110.975 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.49 70.38 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.7 mt -60.7 -47.64 85.37 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.193 0.597 . . . . 0.0 109.528 176.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.5 t -69.8 -31.43 69.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.669 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.24 -47.47 61.21 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.85 0.46 . . . . 0.0 110.179 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 81.7 t80 -57.22 -49.1 77.05 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.178 0.991 . . . . 0.0 111.075 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 15.8 pt-20 -69.03 -35.39 76.57 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -64.21 -44.05 93.11 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.72 0.808 . . . . 0.0 111.424 -177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.18 -26.03 62.79 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -84.71 -13.0 52.68 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 28.4 mm-40 -71.28 -56.24 6.42 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 72' ' ' ALA . 38.0 t 58.62 99.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 124.239 1.016 . . . . 0.0 110.003 -174.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -60.03 -33.38 71.94 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.804 0.841 . . . . 0.0 112.077 -171.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.8 p -74.04 -42.71 59.85 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.246 0.618 . . . . 0.0 110.987 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -84.93 66.11 9.56 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.453 0.701 . . . . 0.0 110.185 178.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 56.47 89.93 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.945 1.298 . . . . 0.0 111.471 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -66.32 161.05 61.18 Favored Pre-proline 0 N--CA 1.484 1.268 0 C-N-CA 123.135 0.574 . . . . 0.0 110.336 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -48.69 -30.32 16.45 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 123.231 2.621 . . . . 0.0 113.691 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.9 t60 60.84 51.52 4.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.416 1.086 . . . . 0.0 109.659 173.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 m -74.97 122.92 29.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.105 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -69.55 105.98 2.84 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.756 0.822 . . . . 0.0 108.8 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 66.11 -78.87 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.981 1.312 . . . . 0.0 111.096 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 58.01 82.1 0.14 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.506 1.123 . . . . 0.0 111.036 -175.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.97 135.11 3.27 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.358 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -107.39 72.4 0.87 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.534 0.734 . . . . 0.0 109.711 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.31 0 CA-C-O 118.63 -1.094 . . . . 0.0 111.921 178.496 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.45 73.3 8.5 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.553 0.692 . . . . 0.0 109.291 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.77 115.52 30.33 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 -176.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.2 t -140.75 160.24 40.48 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.562 0.745 . . . . 0.0 110.813 -174.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -80.99 67.21 6.81 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.744 0.818 . . . . 0.0 110.296 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.37 -54.17 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.839 0.855 . . . . 0.0 109.483 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 67.77 165.92 0.23 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.82 1.248 . . . . 0.0 111.892 -176.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.49 123.85 31.39 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.099 0.56 . . . . 0.0 109.921 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -103.35 162.56 12.9 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.812 0.845 . . . . 0.0 109.751 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -90.43 2.38 55.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.25 0.62 . . . . 0.0 111.246 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.1 152.49 41.35 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 124.136 0.975 . . . . 0.0 110.572 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -61.91 -31.59 84.7 Favored 'Trans proline' 0 C--N 1.383 2.393 0 C-N-CA 122.746 2.297 . . . . 0.0 112.311 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.8 ttt -154.52 -70.86 0.13 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.766 0.826 . . . . 0.0 109.103 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -149.44 -59.41 0.21 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.07 126.37 11.47 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -124.79 115.25 20.39 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.3 mtt -53.53 -41.64 66.61 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.886 0.875 . . . . 0.0 112.271 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.64 -48.61 74.21 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.115 0.566 . . . . 0.0 110.249 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.16 82.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.235 0.614 . . . . 0.0 111.689 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.1 t -73.85 -47.16 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.964 0.905 . . . . 0.0 110.842 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.34 -44.97 86.04 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.387 0.675 . . . . 0.0 110.553 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -67.42 -41.29 85.07 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.341 0.656 . . . . 0.0 111.05 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.74 -46.11 86.81 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.642 0.589 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -59.48 -60.03 4.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.302 1.001 . . . . 0.0 110.466 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.0 t -57.28 -45.07 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.623 0.769 . . . . 0.0 111.499 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -70.18 -38.35 75.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.395 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.1 t -78.5 -54.97 5.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.073 0.549 . . . . 0.0 110.677 -176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.415 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.7 p -75.74 -21.8 57.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.475 0.71 . . . . 0.0 111.805 -173.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.05 29.27 62.95 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.032 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.04 176.4 9.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.632 0.773 . . . . 0.0 111.059 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -96.73 158.92 32.79 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -58.08 -38.06 93.2 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.129 2.552 . . . . 0.0 112.655 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.39 -50.45 55.64 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.773 0.671 . . . . 0.0 113.506 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.11 -48.68 80.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.704 0.802 . . . . 0.0 110.477 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.1 -57.41 12.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.545 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -59.62 -38.86 82.46 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.36 1.064 . . . . 0.0 111.402 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.78 -41.08 92.45 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.269 0.628 . . . . 0.0 111.03 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.22 -42.58 88.51 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.652 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.89 -45.87 91.88 Favored 'General case' 0 C--O 1.212 -0.912 0 O-C-N 124.031 0.832 . . . . 0.0 111.334 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.8 mt-10 -58.48 -39.19 79.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.781 0.432 . . . . 0.0 110.945 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 -20.32 79.9 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.565 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -108.24 17.74 21.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.449 0.7 . . . . 0.0 112.418 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t30 62.11 25.85 15.51 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.509 1.147 . . . . 0.0 111.111 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.8 m95 64.51 18.75 11.53 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.27 1.828 . . . . 0.0 112.326 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -75.72 105.6 6.84 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.7 -55.77 10.44 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.981 1.426 . . . . 0.0 111.811 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.7 m -58.35 -39.41 79.43 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.992 0.917 . . . . 0.0 112.513 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.3 -38.1 78.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.835 0.854 . . . . 0.0 111.001 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.89 -37.36 67.32 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.09 -46.43 87.44 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.594 0.758 . . . . 0.0 109.431 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -63.68 -33.63 76.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.773 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.8 -37.91 62.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.505 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 66.8 t80 -64.5 -51.99 60.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.312 0.645 . . . . 0.0 110.893 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.21 -30.09 70.95 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.22 0.608 . . . . 0.0 110.717 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -61.47 -51.14 69.91 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.914 0.886 . . . . 0.0 110.44 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.15 -23.94 59.34 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.402 0.144 . . . . 0.0 111.141 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.9 mmt-85 -78.55 -23.49 46.14 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.263 0.625 . . . . 0.0 111.251 175.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -55.14 -58.08 9.15 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.671 0.788 . . . . 0.0 111.237 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 72' ' ' ALA . 41.5 t 54.89 96.44 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.667 1.187 . . . . 0.0 111.489 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -64.45 -22.21 66.89 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.121 0.568 . . . . 0.0 111.916 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.4 m -70.53 -34.86 72.76 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.718 0.807 . . . . 0.0 110.554 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -84.88 -62.97 1.42 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.476 0.711 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -88.82 141.29 28.63 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.838 0.855 . . . . 0.0 111.103 -174.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.56 154.39 73.77 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.06 0.944 . . . . 0.0 109.313 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -44.73 -77.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 123.676 2.917 . . . . 0.0 113.896 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -177.12 95.37 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.392 0.677 . . . . 0.0 110.774 175.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.24 130.53 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 170.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -147.54 23.13 1.14 Allowed 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.689 0.756 . . . . 0.0 109.38 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -71.02 98.47 1.63 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.888 -174.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -131.86 172.32 12.46 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.207 1.003 . . . . 0.0 109.726 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.98 -88.06 0.3 Allowed Glycine 0 C--N 1.351 1.367 0 O-C-N 123.684 0.615 . . . . 0.0 113.162 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -149.79 145.63 26.72 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.913 0.885 . . . . 0.0 108.786 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 119.119 -0.823 . . . . 0.0 111.159 177.138 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.33 95.16 2.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.495 1.118 . . . . 0.0 108.896 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -94.55 -38.14 11.03 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.645 0.778 . . . . 0.0 110.027 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.9 m -87.65 49.77 1.87 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.252 1.021 . . . . 0.0 111.871 -172.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -60.46 -45.1 94.93 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.708 0.803 . . . . 0.0 111.081 175.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.92 -42.43 73.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.174 0.59 . . . . 0.0 110.101 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.43 86.54 0.08 Allowed 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.637 1.211 . . . . 0.0 111.152 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.0 150.13 42.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.097 0.559 . . . . 0.0 110.888 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.92 114.76 9.3 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.886 0.874 . . . . 0.0 109.213 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -162.78 165.39 25.49 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.112 0.965 . . . . 0.0 110.042 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.63 159.03 39.45 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 123.308 0.643 . . . . 0.0 109.528 170.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 26' ' ' ASP . 65.8 Cg_exo -47.0 -12.72 0.1 Allowed 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 124.401 3.401 . . . . 0.0 116.671 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ttt -148.24 -57.96 0.23 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.922 0.889 . . . . 0.0 109.201 173.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -165.49 -43.76 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.173 0.989 . . . . 0.0 110.024 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 54' ' ' TRP . 54.8 tp -144.88 121.31 10.99 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.026 1.33 . . . . 0.0 108.019 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 10.6 t70 -118.26 100.49 7.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 172.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.03 -32.23 65.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.072 0.949 . . . . 0.0 112.283 -174.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.95 -46.96 69.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.177 0.591 . . . . 0.0 110.219 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.13 86.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.701 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 56' ' ' LEU . 91.8 t -67.64 -36.62 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.388 1.075 . . . . 0.0 110.81 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.34 0.656 . . . . 0.0 109.908 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -64.31 -39.71 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.471 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.1 -46.11 78.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.502 0.721 . . . . 0.0 110.388 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -58.69 -53.5 57.7 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.9 -39.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 124.207 1.003 . . . . 0.0 111.829 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -67.43 -36.65 81.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.581 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -82.9 -45.16 14.54 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.749 0.82 . . . . 0.0 111.795 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.429 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.6 p -95.04 -27.17 15.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.821 0.848 . . . . 0.0 111.648 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.77 6.05 89.34 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.932 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . . . -72.36 148.53 45.2 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 155.63 88.94 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -55.77 -32.9 86.18 Favored 'Trans proline' 0 N--CA 1.506 2.26 0 C-N-CA 123.428 2.752 . . . . 0.0 113.616 -178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -49.64 55.3 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.504 -0.317 . . . . 0.0 112.463 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.94 -40.38 94.94 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.813 0.845 . . . . 0.0 110.014 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.4 65.23 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.974 1.31 . . . . 0.0 111.071 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.44 83.91 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.591 1.157 . . . . 0.0 111.034 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.13 -44.59 97.1 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.301 0.64 . . . . 0.0 111.048 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 73.4 mt -70.86 -40.47 72.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.6 mt -67.21 -50.91 59.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.93 0.892 . . . . 0.0 111.411 -175.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 44.6 mt-10 -57.03 -36.54 70.59 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.801 0.841 . . . . 0.0 111.95 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.15 -20.17 74.66 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.327 -0.852 . . . . 0.0 113.442 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 36.5 mmtm -105.89 15.74 26.18 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.881 0.872 . . . . 0.0 111.502 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.7 t30 62.81 39.51 10.7 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.542 1.163 . . . . 0.0 110.033 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 79.0 m95 55.72 25.9 8.8 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.447 1.899 . . . . 0.0 113.901 -174.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.78 109.35 9.3 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' HB2' HG13 ' A' ' 30' ' ' VAL . 60.3 tp -52.41 -52.02 56.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' ' 60' ' ' LEU . 5.5 m -64.24 -34.5 78.26 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.432 1.093 . . . . 0.0 112.458 -172.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.15 -33.11 50.48 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.733 0.813 . . . . 0.0 111.187 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -35.19 64.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.514 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 57' ' ' THR . 95.2 mt -60.11 -45.1 94.1 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.993 0.917 . . . . 0.0 109.792 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.2 t -64.48 -38.08 89.77 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.787 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -68.3 -42.26 79.73 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.334 0.654 . . . . 0.0 111.133 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 69.2 t80 -67.99 -45.83 73.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.649 0.779 . . . . 0.0 111.627 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.9 pt-20 -64.91 -31.49 72.75 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -64.51 -48.48 74.98 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 123.929 0.891 . . . . 0.0 111.645 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 63' ' ' TYR . 4.7 pp -70.04 -18.97 63.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.575 0.35 . . . . 0.0 110.724 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -82.27 -29.2 31.36 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.414 0.686 . . . . 0.0 111.795 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 28.5 mm-40 -76.2 -41.16 50.42 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.607 0.363 . . . . 0.0 110.591 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 72' ' ' ALA . 47.4 t 55.83 83.07 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.582 1.153 . . . . 0.0 110.961 -178.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -91.02 -52.53 4.8 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.238 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.8 p -111.92 -58.91 2.06 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.764 0.826 . . . . 0.0 109.956 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.438 ' HB2' HG13 ' A' ' 69' ' ' VAL . . . 60.6 100.62 0.02 OUTLIER 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.822 1.249 . . . . 0.0 111.021 -174.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -65.38 86.14 0.07 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.745 0.818 . . . . 0.0 110.596 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.4 pt? -77.44 132.87 68.42 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.495 178.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HB2' HG12 ' A' ' 77' ' ' VAL . 18.9 Cg_exo -66.2 152.4 81.24 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.905 2.403 . . . . 0.0 112.604 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -94.96 11.68 31.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.25 1.02 . . . . 0.0 110.746 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' A' ' 75' ' ' PRO . 7.2 p -81.67 94.71 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 122.01 0.909 . . . . 0.0 109.465 176.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -82.08 107.64 14.94 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -141.22 160.37 40.25 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.115 0.966 . . . . 0.0 109.78 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 66.26 7.86 5.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.734 1.214 . . . . 0.0 113.229 177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.61 55.48 2.33 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -85.4 -62.3 1.56 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.602 0.761 . . . . 0.0 110.051 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.362 0 CA-C-O 119.019 -0.879 . . . . 0.0 112.659 178.473 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.6 mtt -52.99 -40.3 63.67 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.968 0.907 . . . . 0.0 112.969 -172.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.32 -37.87 74.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.315 0.646 . . . . 0.0 111.36 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.72 76.3 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.214 0.531 . . . . 0.0 111.026 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.49 -35.97 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.414 1.086 . . . . 0.0 110.277 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -65.47 -54.42 28.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.107 0.963 . . . . 0.0 110.463 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -64.22 -43.3 95.4 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.496 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.72 -40.28 88.32 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.702 0.626 . . . . 0.0 110.745 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.94 -53.76 52.89 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.56 -37.18 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.483 1.113 . . . . 0.0 111.614 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -73.39 -33.27 64.92 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.915 1.286 . . . . 0.0 111.344 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.1 t -94.67 -26.27 16.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.791 0.836 . . . . 0.0 111.816 -170.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -110.12 -27.71 9.03 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.09 0.556 . . . . 0.0 111.888 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.12 8.03 82.5 Favored Glycine 0 C--N 1.349 1.25 0 O-C-N 123.192 0.308 . . . . 0.0 113.105 -174.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -75.87 163.55 27.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.805 0.842 . . . . 0.0 110.866 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -79.28 156.28 76.37 Favored Pre-proline 0 CA--C 1.56 1.346 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -62.31 -33.0 81.68 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.249 2.633 . . . . 0.0 113.722 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.41 -48.88 60.35 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD23 ' HB1' ' A' ' 40' ' ' ALA . 58.5 tp -61.28 -39.68 91.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.451 1.1 . . . . 0.0 110.411 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.58 -57.19 14.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.459 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -43.89 68.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.895 1.278 . . . . 0.0 111.541 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.24 -48.38 70.72 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 123.901 0.75 . . . . 0.0 111.035 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 83.8 mt -59.58 -47.42 85.64 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 123.538 0.524 . . . . 0.0 109.929 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.67 -42.31 88.17 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.039 0.936 . . . . 0.0 111.747 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.83 -35.34 77.96 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.476 0.58 . . . . 0.0 110.834 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.57 -13.31 83.59 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 115.709 -0.678 . . . . 0.0 113.303 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -108.17 5.43 25.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 117.422 0.611 . . . . 0.0 111.567 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 66.5 23.06 10.54 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.469 1.128 . . . . 0.0 110.554 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 m95 69.68 19.24 7.35 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.244 1.818 . . . . 0.0 111.629 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.55 102.07 2.15 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.3 tp -51.8 -57.79 8.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.252 1.421 . . . . 0.0 112.054 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -63.34 -33.98 76.7 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.576 0.75 . . . . 0.0 111.788 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.11 92.87 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.455 0.702 . . . . 0.0 110.894 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.97 -42.45 76.6 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.523 0.729 . . . . 0.0 110.827 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.0 mt -58.75 -46.5 87.29 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.698 0.799 . . . . 0.0 109.98 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -69.68 -34.22 73.65 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.812 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.82 -51.2 51.32 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.314 0.646 . . . . 0.0 110.602 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.83 -49.82 76.22 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.405 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.766 -177.663 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -56.26 -38.21 70.85 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.51 -38.93 71.09 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.756 0.422 . . . . 0.0 110.244 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.2 71.42 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.979 0.512 . . . . 0.0 110.826 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.23 -34.19 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 124.103 0.961 . . . . 0.0 110.459 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.48 -48.18 65.13 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.17 0.588 . . . . 0.0 109.611 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -60.79 -46.22 91.35 Favored 'General case' 0 C--O 1.248 0.991 0 C-N-CA 123.71 0.804 . . . . 0.0 110.908 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 -53.15 54.27 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.495 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.25 -57.51 10.9 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 124.029 0.831 . . . . 0.0 111.706 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 40' ' ' ALA . 72.4 t -52.08 -44.74 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 124.063 0.852 . . . . 0.0 110.958 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -72.43 -32.8 66.61 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.598 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -87.88 -11.51 47.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.631 0.773 . . . . 0.0 112.757 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.563 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 47.4 p -118.8 -35.42 3.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.37 21.81 53.29 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.503 -169.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 35' ' ' VAL . . . -79.94 168.59 19.02 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.571 0.748 . . . . 0.0 110.142 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.61 156.53 36.57 Favored Pre-proline 0 N--CA 1.483 1.189 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -60.87 -29.76 88.75 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.111 2.541 . . . . 0.0 113.684 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.59 -52.99 18.25 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.11 -31.3 72.41 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.771 0.829 . . . . 0.0 110.671 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.97 35.82 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.527 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -41.88 70.23 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.261 0.975 . . . . 0.0 110.824 175.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.9 -58.1 9.87 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.983 0.913 . . . . 0.0 111.235 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.0 mt -63.08 -43.53 98.29 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.041 0.838 . . . . 0.0 110.987 -176.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 mt -59.0 -54.59 45.36 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.688 0.795 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -60.31 -32.7 71.47 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.84 0.456 . . . . 0.0 111.658 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.56 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 113.282 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 70.1 mmtt -109.17 12.47 24.98 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 0.0 111.447 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 68.94 37.74 2.19 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.633 1.173 . . . . 0.0 110.968 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 54.74 16.24 1.34 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.972 1.709 . . . . 0.0 114.025 -170.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.44 104.81 3.91 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.7 tp -50.09 -51.12 45.35 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.794 1.308 . . . . 0.0 111.18 -175.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -58.81 -46.47 87.54 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.285 0.99 . . . . 0.0 112.177 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.86 86.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.514 0.725 . . . . 0.0 111.497 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.84 72.57 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.782 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.8 mt -55.78 -49.18 73.88 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.545 0.738 . . . . 0.0 109.21 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.0 m -62.83 -34.06 76.54 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.447 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.36 -40.97 66.93 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.253 0.621 . . . . 0.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.563 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 47.1 t80 -75.05 -41.17 59.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.927 -176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.192 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mtt -61.94 -25.87 67.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -173.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.47 -43.13 70.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.294 0.638 . . . . 0.0 109.899 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.84 77.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.58 0.752 . . . . 0.0 111.464 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 56' ' ' LEU . 77.9 t -65.56 -43.35 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.005 0.922 . . . . 0.0 110.218 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.72 -45.58 82.16 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.277 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -62.9 -42.37 99.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.943 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.2 -39.27 78.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.941 0.775 . . . . 0.0 110.566 -175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.8 -54.95 41.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.446 0.698 . . . . 0.0 109.622 174.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.86 -29.22 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 124.209 1.004 . . . . 0.0 111.542 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -75.73 -33.24 60.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.588 0.755 . . . . 0.0 110.616 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -83.0 -57.74 3.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.398 0.679 . . . . 0.0 110.62 -176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -84.51 -26.82 27.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.103 0.961 . . . . 0.0 111.919 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.28 19.22 78.61 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.981 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.15 165.69 22.21 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.589 0.756 . . . . 0.0 111.676 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.21 136.76 95.63 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 123.615 0.766 . . . . 0.0 109.867 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.08 -30.98 46.67 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.836 2.357 . . . . 0.0 112.998 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.38 83.46 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.82 -47.36 83.77 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.973 0.909 . . . . 0.0 109.924 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.08 71.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.068 -1.423 . . . . 0.0 110.908 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.39 -43.48 79.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.842 1.257 . . . . 0.0 111.488 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.78 -47.37 85.49 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.211 0.604 . . . . 0.0 110.921 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.7 mt -65.46 -36.06 82.78 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.3 -53.33 45.45 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.804 0.842 . . . . 0.0 110.355 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -53.31 -44.06 68.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.788 0.835 . . . . 0.0 111.548 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.06 76.14 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.406 -0.816 . . . . 0.0 113.358 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.7 mmtm -97.67 12.12 34.74 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.369 0.667 . . . . 0.0 111.902 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 70.41 32.19 2.81 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.74 1.216 . . . . 0.0 111.633 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.7 m95 60.32 21.55 11.05 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.018 1.727 . . . . 0.0 112.86 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.85 99.9 1.83 Allowed 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.563 ' HB2' HG13 ' A' ' 30' ' ' VAL . 55.9 tp -53.48 -52.25 60.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.408 1.068 . . . . 0.0 111.491 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -63.82 -36.8 85.11 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 124.032 0.832 . . . . 0.0 111.979 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.91 73.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.65 0.78 . . . . 0.0 111.271 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -34.73 60.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.833 0.453 . . . . 0.0 111.055 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.54 -46.28 90.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.672 0.789 . . . . 0.0 109.464 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -64.12 -30.98 72.01 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.18 0.925 . . . . 0.0 111.639 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.85 -42.72 57.42 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.642 0.777 . . . . 0.0 110.989 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.07 -45.97 72.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.757 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.12 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -38.81 66.07 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.57 0.748 . . . . 0.0 112.726 -173.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -40.69 83.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.862 0.865 . . . . 0.0 111.023 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.94 -47.95 67.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.684 0.794 . . . . 0.0 111.138 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.61 -37.71 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 123.969 0.907 . . . . 0.0 110.626 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.17 -49.89 68.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.524 0.73 . . . . 0.0 110.545 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.1 t -64.15 -42.26 96.84 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.949 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -75.51 -29.79 59.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.434 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.74 -59.43 5.17 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.37 -32.31 44.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 124.765 1.226 . . . . 0.0 111.509 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -64.39 -43.52 94.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.715 1.206 . . . . 0.0 110.946 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -86.67 -27.55 23.7 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.617 0.767 . . . . 0.0 112.39 -173.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -106.54 -29.59 9.57 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.242 0.617 . . . . 0.0 112.055 -170.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.55 71.75 Favored Glycine 0 C--N 1.344 0.993 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.654 -170.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 164.72 26.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.985 0.914 . . . . 0.0 111.949 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.24 153.89 62.91 Favored Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 170.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -58.44 -38.21 91.26 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.985 2.457 . . . . 0.0 113.18 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.81 -50.71 45.8 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.37 0.418 . . . . 0.0 113.131 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 62.3 tp -57.69 -45.13 86.05 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.168 0.987 . . . . 0.0 110.643 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.33 -57.57 12.07 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.811 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.71 -37.8 82.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.32 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.68 -48.19 81.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.705 0.802 . . . . 0.0 110.819 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 87.4 mt -66.89 -38.11 85.67 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.298 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.52 -47.03 85.69 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.563 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.2 mt-10 -58.84 -35.12 72.41 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.156 0.434 . . . . 0.0 111.779 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.43 73.63 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 115.802 -0.635 . . . . 0.0 113.065 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.9 mmtm -100.11 14.21 31.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.96 34.97 19.23 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.988 0.899 . . . . 0.0 111.435 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.9 m95 58.5 24.18 11.59 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.414 1.886 . . . . 0.0 113.018 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.15 116.92 18.96 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.09 -57.91 9.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.022 1.329 . . . . 0.0 110.584 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 m -53.08 -44.68 67.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.996 1.318 . . . . 0.0 111.971 -173.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.09 -51.38 69.39 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.105 0.962 . . . . 0.0 111.062 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.1 74.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.909 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.65 -46.21 90.75 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.31 0.644 . . . . 0.0 109.578 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -67.7 -31.24 71.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.239 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 37.5 t70 -70.94 -47.42 59.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.584 0.754 . . . . 0.0 110.383 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -55.84 -53.5 56.0 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.696 1.198 . . . . 0.0 111.379 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.468 0.459 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.047 -176.298 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--O 1.235 0.303 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.45 -36.6 44.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.475 0.71 . . . . 0.0 111.817 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.44 -41.36 76.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 0.0 111.484 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.37 72.46 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.949 0.5 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.98 -40.57 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.847 0.859 . . . . 0.0 110.088 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -63.82 -40.9 97.72 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.007 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -65.51 -52.94 49.05 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.328 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.99 -38.54 91.28 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.086 0.866 . . . . 0.0 110.96 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.79 -54.35 47.33 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.206 0.316 . . . . 0.0 110.556 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.74 -36.74 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.019 0.928 . . . . 0.0 111.265 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.66 -33.25 70.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.446 1.498 . . . . 0.0 112.197 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.7 m -87.94 -53.41 4.75 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.087 0.555 . . . . 0.0 111.549 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -83.82 -28.17 28.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.911 0.885 . . . . 0.0 111.882 -172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.55 9.93 80.53 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 116.335 -0.393 . . . . 0.0 113.277 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.38 165.97 24.28 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.598 0.759 . . . . 0.0 110.831 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.4 157.64 67.46 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.94 -36.1 95.24 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.146 2.564 . . . . 0.0 113.574 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.9 53.37 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.115 0.259 . . . . 0.0 112.981 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.15 -39.79 94.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.994 0.917 . . . . 0.0 110.301 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.45 47.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.356 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -43.61 81.13 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.214 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.41 -50.33 73.33 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.861 0.726 . . . . 0.0 111.181 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.9 mt -65.11 -46.54 80.63 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.946 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.77 -30.47 71.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.526 0.73 . . . . 0.0 112.076 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.84 -37.65 88.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.051 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.2 -27.33 64.24 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.67 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.1 mmtt -97.41 6.86 47.58 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 117.759 0.78 . . . . 0.0 111.442 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 62.9 25.56 15.13 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 124.387 1.075 . . . . 0.0 110.311 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 72.9 24.91 2.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.587 1.955 . . . . 0.0 112.092 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.6 107.45 6.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.79 -54.88 32.06 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.621 1.201 . . . . 0.0 111.033 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -62.94 -40.39 97.49 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.962 0.905 . . . . 0.0 112.024 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.76 80.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.265 0.626 . . . . 0.0 111.229 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.41 68.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.155 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.08 -45.55 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.317 0.647 . . . . 0.0 109.819 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.1 m -69.4 -34.29 74.29 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.308 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.43 -49.64 62.83 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.605 0.762 . . . . 0.0 110.542 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -64.48 -44.19 91.79 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.478 0.945 0 C-N-CA 122.291 0.236 . . . . 0.0 110.569 179.588 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -52.79 -42.45 65.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.27 -40.75 81.78 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.147 0.579 . . . . 0.0 111.116 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.89 67.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.32 0.648 . . . . 0.0 111.751 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.8 -35.69 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 124.224 1.01 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.7 -49.79 73.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.671 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -64.12 -38.57 91.54 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.267 -178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.84 -48.63 68.26 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.679 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.63 -53.69 55.47 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.059 0.849 . . . . 0.0 110.741 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.18 -37.13 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.767 0.827 . . . . 0.0 111.694 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -71.1 -39.23 72.23 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.707 0.803 . . . . 0.0 111.181 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.8 m -82.72 -26.19 32.21 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.455 0.702 . . . . 0.0 112.297 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -112.51 -35.03 5.67 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.936 0.494 . . . . 0.0 111.844 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.28 6.57 74.34 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.862 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.88 49.15 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.301 0.641 . . . . 0.0 110.093 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.01 157.29 90.15 Favored Pre-proline 0 CA--C 1.556 1.192 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.53 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.34 -32.4 88.32 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 123.123 2.549 . . . . 0.0 113.557 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.06 -50.35 34.84 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 116.653 -0.249 . . . . 0.0 112.68 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.14 -42.34 98.37 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.934 0.894 . . . . 0.0 110.146 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.81 53.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.925 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.97 -38.58 70.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.234 0.959 . . . . 0.0 111.658 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.86 -49.46 68.06 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.494 0.496 . . . . 0.0 110.36 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 69.2 mt -65.27 -40.39 93.85 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.455 0.472 . . . . 0.0 110.083 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.37 -49.33 72.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.922 0.889 . . . . 0.0 111.489 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 64.8 mt-10 -64.51 -27.24 68.83 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.386 0.539 . . . . 0.0 111.787 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.52 -22.72 78.82 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.908 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.1 mmtm -107.91 15.99 23.9 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.619 0.768 . . . . 0.0 112.44 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.46 24.57 14.63 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.238 1.015 . . . . 0.0 111.586 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.426 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 91.8 m95 73.98 15.09 3.86 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.59 1.956 . . . . 0.0 113.145 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -70.44 115.27 9.43 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 168.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 tp -54.84 -50.16 69.32 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.932 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -61.23 -47.89 83.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.756 0.823 . . . . 0.0 112.385 -172.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.74 80.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.528 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.31 -37.73 63.52 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.556 0.535 . . . . 0.0 111.535 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -49.45 76.66 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.352 0.661 . . . . 0.0 109.917 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -66.07 -31.32 72.12 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.94 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 31.8 t70 -67.66 -49.44 62.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.492 0.717 . . . . 0.0 110.621 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -58.87 -44.77 91.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 111.049 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.547 0.837 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -52.84 -41.61 64.41 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.858 0.863 . . . . 0.0 112.463 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.09 -43.55 86.96 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.643 0.589 . . . . 0.0 110.683 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.1 71.32 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.328 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.08 -41.2 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.897 0.879 . . . . 0.0 110.62 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -64.25 -51.7 62.32 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.47 0.708 . . . . 0.0 110.259 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -64.63 -41.09 96.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.888 0.742 . . . . 0.0 111.352 -177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.4 -46.42 80.1 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.835 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.09 -53.62 56.05 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.002 0.814 . . . . 0.0 110.691 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.5 -38.94 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 124.17 0.919 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -74.62 -32.76 62.41 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.133 0.973 . . . . 0.0 111.001 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -83.0 -33.01 26.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.829 0.851 . . . . 0.0 112.402 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -108.53 -25.32 10.98 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.14 14.54 80.35 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 123.44 0.463 . . . . 0.0 113.119 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -77.48 161.28 28.06 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.264 0.626 . . . . 0.0 110.505 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.03 157.83 75.58 Favored Pre-proline 0 CA--C 1.56 1.337 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.32 -35.03 86.28 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.146 2.564 . . . . 0.0 113.371 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.44 28.29 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.273 0.358 . . . . 0.0 112.747 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.443 HD23 ' HB1' ' A' ' 40' ' ' ALA . 51.9 tp -55.15 -45.86 75.68 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.64 1.176 . . . . 0.0 111.087 175.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.88 41.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.844 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 2.3 tmt_? -59.51 -43.22 93.46 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.644 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.79 -48.36 72.8 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.781 0.832 . . . . 0.0 110.928 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 72.7 mt -59.58 -46.88 87.62 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 109.666 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.87 -24.34 66.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.194 0.998 . . . . 0.0 112.528 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 9.4 mm-40 -64.48 -36.0 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.841 0.456 . . . . 0.0 109.871 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.52 -5.33 61.77 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.488 -0.778 . . . . 0.0 113.448 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 71.0 mmtt -107.59 6.14 27.63 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.541 0.736 . . . . 0.0 111.897 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 63.14 22.87 13.63 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.039 0.935 . . . . 0.0 110.75 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 62.28 21.98 12.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.387 1.475 . . . . 0.0 112.422 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.75 108.72 7.68 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 168.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -53.19 -51.46 62.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.55 1.14 . . . . 0.0 111.111 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -61.96 -36.68 82.17 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.214 1.006 . . . . 0.0 111.758 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.18 79.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.391 0.676 . . . . 0.0 110.795 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.95 69.96 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.192 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.98 -44.46 96.68 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.705 0.628 . . . . 0.0 109.872 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.8 t -64.95 -37.38 87.47 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.26 0.975 . . . . 0.0 110.813 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.35 -47.78 72.34 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.591 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -65.79 -48.05 73.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.052 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.481 1.09 0 C-N-CA 122.397 0.279 . . . . 0.0 110.613 -178.21 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -54.09 -37.32 64.12 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.515 0.726 . . . . 0.0 112.367 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.58 -41.13 84.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.226 0.61 . . . . 0.0 110.623 -176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.66 75.63 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.246 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.07 -38.08 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.014 0.926 . . . . 0.0 110.769 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -65.45 -50.7 64.39 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.814 0.845 . . . . 0.0 109.511 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -64.17 -41.56 97.07 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.866 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -46.93 84.87 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.361 0.664 . . . . 0.0 109.288 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HA ' HD21 ' A' ' 60' ' ' LEU . 44.7 t80 -56.08 -60.01 4.1 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.999 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.81 -40.08 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 124.321 1.049 . . . . 0.0 111.851 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -70.66 -31.41 68.32 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.763 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.6 p -93.38 -34.88 13.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 75.1 p -88.92 -33.73 17.18 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.44 0.696 . . . . 0.0 112.0 -172.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.22 9.09 86.48 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.841 -171.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.53 146.42 34.32 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.513 0.725 . . . . 0.0 109.128 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -69.07 156.81 90.8 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -57.0 -31.18 89.24 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 C-N-CA 123.01 2.473 . . . . 0.0 113.51 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.7 79.94 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.107 0.254 . . . . 0.0 113.093 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.65 -39.75 80.54 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.83 0.852 . . . . 0.0 109.893 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.47 67.67 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -58.07 -45.88 86.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.245 0.966 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.12 -49.51 66.38 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.722 0.809 . . . . 0.0 111.376 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 93.8 mt -65.29 -48.2 73.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.211 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.75 -24.36 66.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.848 0.859 . . . . 0.0 112.097 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.64 -40.64 69.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.95 -15.73 80.8 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-N 115.365 -0.834 . . . . 0.0 113.79 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -110.93 12.64 22.19 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 117.505 0.653 . . . . 0.0 111.739 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 64.73 23.0 12.68 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.176 0.99 . . . . 0.0 111.495 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.2 m95 64.83 19.22 11.78 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.626 1.57 . . . . 0.0 112.034 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.76 96.98 2.12 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 tp -49.22 -49.81 41.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 124.867 1.354 . . . . 0.0 111.454 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.4 m -61.19 -41.41 96.77 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.857 0.863 . . . . 0.0 111.66 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.22 91.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.458 0.703 . . . . 0.0 110.955 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -73.61 -42.69 61.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.41 0.684 . . . . 0.0 111.813 -177.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 34' ' ' PHE . 85.1 mt -61.04 -49.07 78.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.735 0.814 . . . . 0.0 110.146 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.2 t -71.2 -26.03 62.77 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.272 0.983 . . . . 0.0 111.101 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.3 -44.11 63.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 84.1 t80 -63.28 -51.64 65.28 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 124.421 1.076 . . . . 0.0 110.914 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 N--CA 1.469 0.506 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.407 -177.496 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -44.64 67.02 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.819 0.848 . . . . 0.0 112.541 -176.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.23 -39.34 92.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.47 0.708 . . . . 0.0 111.013 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.39 -43.62 69.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.2 0.6 . . . . 0.0 111.289 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 56' ' ' LEU . 67.0 t -67.1 -36.56 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.735 0.814 . . . . 0.0 110.131 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.82 -45.09 87.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.811 0.844 . . . . 0.0 109.987 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 t -67.97 -43.18 79.59 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.747 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -38.33 84.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 111.31 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -62.15 -59.3 5.26 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.617 0.573 . . . . 0.0 109.457 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.87 -40.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 124.118 0.967 . . . . 0.0 111.785 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttp-105 -65.93 -43.01 89.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.629 0.772 . . . . 0.0 111.008 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -80.54 -35.97 33.74 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.33 0.652 . . . . 0.0 111.853 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -94.58 -25.56 16.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.762 0.825 . . . . 0.0 111.72 -173.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.03 23.81 75.3 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.081 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.89 173.16 12.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.56 0.744 . . . . 0.0 111.641 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.3 155.85 42.23 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -60.8 -34.94 90.84 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.419 2.746 . . . . 0.0 113.188 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.79 -50.86 33.07 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 123.288 0.367 . . . . 0.0 112.499 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.7 -43.8 93.93 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.221 1.008 . . . . 0.0 110.731 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.96 39.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.247 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -42.72 81.22 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.449 1.1 . . . . 0.0 111.092 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.61 -52.13 66.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.134 0.973 . . . . 0.0 110.864 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 86.5 mt -64.3 -42.83 96.16 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.31 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.85 -48.81 80.05 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.292 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -56.19 -38.85 71.51 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 123.382 0.673 . . . . 0.0 112.285 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.52 -20.67 72.0 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.387 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 65.7 mmtt -106.95 13.75 27.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.907 0.883 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 63.9 37.57 9.45 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.528 1.156 . . . . 0.0 109.817 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 55.6 23.02 5.68 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.99 1.716 . . . . 0.0 113.468 -175.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.91 115.31 17.55 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.0 tp -55.3 -47.44 75.56 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.38 1.05 . . . . 0.0 111.31 -177.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.6 m -64.37 -46.08 84.93 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.177 0.991 . . . . 0.0 112.077 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.33 72.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.869 0.867 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.77 -38.14 64.77 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.521 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.1 mt -61.33 -46.37 90.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.451 0.7 . . . . 0.0 109.702 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m -62.7 -35.66 80.44 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.4 -37.55 63.35 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.411 0.685 . . . . 0.0 110.817 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -67.44 -49.52 63.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 122.706 0.403 . . . . 0.0 110.57 -179.421 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 N--CA 1.461 0.106 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.1 mtt -62.6 -21.98 66.04 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.086 0.954 . . . . 0.0 113.457 -171.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.74 -52.99 20.58 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.13 73.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.638 0.775 . . . . 0.0 112.482 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -73.65 -39.79 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.739 0.816 . . . . 0.0 109.937 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.96 -51.64 63.4 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -50.4 -49.29 54.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.548 1.539 . . . . 0.0 112.223 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.1 -48.6 51.37 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.867 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.59 -50.2 73.91 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.766 0.666 . . . . 0.0 110.751 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.1 -47.13 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.603 0.761 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -73.9 -29.44 62.07 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.066 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -77.5 -54.63 6.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.316 0.646 . . . . 0.0 110.786 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.489 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 70.9 p -85.67 -30.17 23.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.53 60.7 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.556 -174.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 144.92 30.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.421 0.688 . . . . 0.0 110.03 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.35 157.85 89.21 Favored Pre-proline 0 N--CA 1.483 1.205 0 CA-C-O 118.478 -0.772 . . . . 0.0 108.964 -175.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -59.63 -32.21 95.58 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 123.2 2.6 . . . . 0.0 113.531 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.48 -52.49 30.33 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.32 -33.69 76.06 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.033 0.933 . . . . 0.0 110.536 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -56.68 9.35 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.699 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.37 -39.42 67.17 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.432 1.083 . . . . 0.0 110.658 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 -49.07 77.34 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.632 0.773 . . . . 0.0 111.402 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.44 -35.29 70.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.125 0.57 . . . . 0.0 110.791 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.9 mt -63.73 -52.25 61.32 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.734 0.814 . . . . 0.0 110.143 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -63.96 -24.19 67.63 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.904 0.481 . . . . 0.0 111.658 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.11 -27.15 74.1 Favored Glycine 0 C--N 1.35 1.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.895 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 46.4 mmtm -105.93 13.63 29.12 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.361 1.064 . . . . 0.0 112.414 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.7 36.38 3.64 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 124.252 1.021 . . . . 0.0 110.318 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.474 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 75.7 m95 60.22 14.59 4.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.231 1.812 . . . . 0.0 113.958 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.96 110.95 6.8 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 tp -52.9 -49.75 65.29 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 m -60.14 -48.6 81.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.161 0.985 . . . . 0.0 111.939 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.1 72.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.79 67.75 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.336 0.398 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.55 -52.82 63.83 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.718 0.807 . . . . 0.0 109.071 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.1 t -56.48 -42.17 77.82 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 124.898 1.374 . . . . 0.0 111.129 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.428 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 16.3 t70 -61.5 -57.55 11.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.489 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 58.6 t80 -61.58 -46.53 89.49 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.753 0.658 . . . . 0.0 110.701 -176.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.473 0.721 0 O-C-N 123.384 0.427 . . . . 0.0 111.291 -175.545 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -53.19 -37.5 62.0 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.262 1.025 . . . . 0.0 112.577 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.55 -44.82 77.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.146 0.579 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.68 82.06 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.455 . . . . 0.0 111.085 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.1 -38.28 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.463 1.105 . . . . 0.0 110.701 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.62 -50.56 62.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.099 0.56 . . . . 0.0 109.573 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -60.7 -41.01 94.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.819 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.89 -45.53 74.18 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.584 0.754 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.32 -55.85 29.66 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.798 0.686 . . . . 0.0 109.937 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.09 -39.26 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.05 0.94 . . . . 0.0 111.473 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -74.13 -33.39 63.53 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.019 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -78.55 -52.82 7.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.478 0.711 . . . . 0.0 110.848 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.4 p -82.53 -35.55 27.16 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.785 0.834 . . . . 0.0 111.277 -172.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.4 5.03 76.26 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.575 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.509 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -75.65 161.92 28.69 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.818 0.847 . . . . 0.0 111.079 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.15 157.16 85.43 Favored Pre-proline 0 N--CA 1.487 1.423 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.847 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.01 -29.8 66.43 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 123.003 2.469 . . . . 0.0 113.814 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.66 47.89 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD23 ' HB1' ' A' ' 40' ' ' ALA . 62.2 tp -63.7 -41.12 98.15 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.195 0.998 . . . . 0.0 109.82 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -54.55 45.16 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -39.49 78.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.533 1.133 . . . . 0.0 111.565 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.94 -47.19 86.02 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.679 0.791 . . . . 0.0 110.864 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.9 mt -69.63 -43.05 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.236 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.19 -56.68 17.96 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.879 0.872 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 87.3 mt-10 -59.68 -29.97 68.45 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.368 0.667 . . . . 0.0 112.193 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.65 92.3 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.638 172.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -99.81 16.32 24.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.28 1.032 . . . . 0.0 111.965 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t30 63.56 44.18 5.38 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.145 0.978 . . . . 0.0 110.405 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 92.4 m95 53.22 20.5 1.87 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.966 1.706 . . . . 0.0 114.459 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.39 102.85 3.86 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -49.9 -50.84 44.63 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.778 1.299 . . . . 0.0 111.279 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -63.11 -42.75 99.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.887 0.875 . . . . 0.0 111.732 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.3 74.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.56 0.744 . . . . 0.0 111.513 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.24 -37.85 66.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.475 0.484 . . . . 0.0 111.002 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.69 -47.05 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.481 0.712 . . . . 0.0 109.489 173.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 m -63.27 -34.09 76.91 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.18 -52.15 37.63 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.604 0.762 . . . . 0.0 110.469 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.26 -48.14 81.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.046 0.938 . . . . 0.0 111.114 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.474 0.754 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.61 179.508 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.5 t70 . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 mtt -54.79 -34.52 62.77 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.897 0.879 . . . . 0.0 112.734 -174.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -65.31 -46.47 80.22 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.822 0.449 . . . . 0.0 110.347 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.92 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.156 0.582 . . . . 0.0 111.673 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' ASP . 96.4 t -69.9 -45.35 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.516 0.726 . . . . 0.0 110.465 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.14 -47.82 69.9 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.448 0.699 . . . . 0.0 110.661 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.4 t -62.54 -45.51 92.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.689 0.796 . . . . 0.0 111.544 -177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.46 -46.13 87.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.131 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.38 -57.96 10.6 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.968 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.52 -41.37 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 124.454 1.102 . . . . 0.0 111.452 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -67.01 -39.02 86.98 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.047 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.6 m -87.59 -42.42 12.73 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.085 0.554 . . . . 0.0 112.19 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -87.86 -28.83 21.35 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.613 0.765 . . . . 0.0 111.857 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.04 13.98 76.06 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.938 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.6 154.28 28.84 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.472 0.709 . . . . 0.0 110.548 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.94 159.14 83.61 Favored Pre-proline 0 CA--C 1.557 1.223 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -57.35 -35.05 98.86 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.058 2.505 . . . . 0.0 113.522 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -48.65 26.7 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.403 -0.362 . . . . 0.0 113.022 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.25 -43.15 99.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.931 0.892 . . . . 0.0 110.157 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.91 14.93 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.982 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.96 -42.27 68.74 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.53 177.087 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.34 -48.33 80.27 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 123.892 0.745 . . . . 0.0 111.16 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -66.78 -34.19 77.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.85 0.46 . . . . 0.0 110.207 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -42.46 96.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.519 175.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 55.3 mt-10 -60.56 -33.7 73.08 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 122.649 0.379 . . . . 0.0 111.32 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.88 -23.57 75.81 Favored Glycine 0 C--N 1.349 1.25 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.515 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 41.1 mmtm -109.24 9.14 25.98 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.512 0.725 . . . . 0.0 112.504 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 58.43 40.19 24.4 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 123.016 1.388 . . . . 0.0 110.239 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 64.0 m95 60.37 30.85 20.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.931 2.092 . . . . 0.0 113.461 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.46 118.1 19.57 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.21 -58.29 8.93 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.903 . . . . 0.0 110.861 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -62.84 -40.1 96.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.741 0.816 . . . . 0.0 112.316 -171.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.69 83.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.587 0.755 . . . . 0.0 111.237 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.2 63.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.67 -43.18 94.09 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.092 0.557 . . . . 0.0 109.589 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.8 m -70.53 -29.4 65.88 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.326 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.596 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.8 t70 -69.8 -50.26 44.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.624 0.77 . . . . 0.0 110.816 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -61.06 -49.49 77.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 110.926 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.476 0.831 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.798 -179.677 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.1 t70 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.3 -45.8 72.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.822 0.849 . . . . 0.0 112.415 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.58 -34.2 71.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.527 0.731 . . . . 0.0 110.741 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.57 70.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.171 0.588 . . . . 0.0 111.308 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ASP . 59.3 t -68.69 -41.02 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.183 0.593 . . . . 0.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.64 -44.46 90.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.063 0.945 . . . . 0.0 110.329 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.1 t -65.83 -47.12 76.07 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.748 0.655 . . . . 0.0 110.352 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.16 -40.83 98.68 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.158 0.911 . . . . 0.0 110.593 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.475 ' HZ ' ' HB2' ' A' ' 63' ' ' TYR . 86.3 t80 -63.19 -51.92 64.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 123.923 0.764 . . . . 0.0 110.693 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 40' ' ' ALA . 71.3 t -64.07 -30.96 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.326 0.65 . . . . 0.0 110.807 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -73.94 -30.02 62.32 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.488 1.115 . . . . 0.0 111.389 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.2 p -91.82 -59.11 2.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.219 0.608 . . . . 0.0 111.176 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -76.73 -26.31 54.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.829 0.851 . . . . 0.0 112.281 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.2 21.74 69.73 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.413 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 35' ' ' VAL . . . -70.42 169.9 13.05 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.007 0.923 . . . . 0.0 111.606 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 5.4 pt-20 -85.53 156.31 59.15 Favored Pre-proline 0 CA--C 1.563 1.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 175.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -59.25 -39.8 74.7 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 123.138 2.559 . . . . 0.0 113.683 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.97 -48.7 38.97 Favored Glycine 0 C--N 1.348 1.224 0 O-C-N 123.511 0.507 . . . . 0.0 113.376 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 58.7 tp -58.03 -45.71 86.52 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.121 0.968 . . . . 0.0 110.19 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -55.42 32.93 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.095 0.958 . . . . 0.0 111.636 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.92 -37.35 73.91 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.368 1.067 . . . . 0.0 111.356 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.47 -44.17 97.04 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.875 0.87 . . . . 0.0 110.589 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 14.0 mt -71.01 -39.45 72.38 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.67 -45.75 88.7 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.206 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.42 -25.22 66.65 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.438 0.563 . . . . 0.0 111.089 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.48 3.73 86.29 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-O 119.818 -0.434 . . . . 0.0 113.316 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.669 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 40.9 mmtm -132.4 13.02 4.58 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.177 0.991 . . . . 0.0 112.082 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 t30 64.9 24.72 12.74 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 122.262 1.03 . . . . 0.0 110.564 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.5 m95 67.87 24.38 8.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.904 2.082 . . . . 0.0 111.448 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -79.88 112.84 17.56 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.423 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 62.3 tp -54.44 -49.67 69.47 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.645 1.216 . . . . 0.0 111.623 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 m -62.22 -40.96 97.86 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.318 1.047 . . . . 0.0 111.709 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 52' ' ' LYS . . . -74.11 -31.8 62.93 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.341 1.056 . . . . 0.0 110.881 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.6 69.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 94.1 mt -61.04 -45.63 94.0 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.804 0.841 . . . . 0.0 109.281 174.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 m -62.72 -38.63 91.26 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.227 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.669 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.4 t70 -67.8 -42.51 81.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.861 0.864 . . . . 0.0 110.842 -178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.475 ' HB2' ' HZ ' ' A' ' 34' ' ' PHE . 78.7 t80 -65.48 -52.76 50.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.255 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.48 1.052 0 O-C-N 123.768 0.667 . . . . 0.0 110.935 -178.207 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 67.2 mtt -59.21 -42.44 90.98 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.885 0.874 . . . . 0.0 112.271 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.18 -42.97 79.18 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.847 0.459 . . . . 0.0 110.396 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.29 99.19 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.923 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.11 -43.44 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 C-N-CA 123.502 0.721 . . . . 0.0 111.309 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.34 -50.65 70.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.242 0.617 . . . . 0.0 110.423 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -67.37 -40.87 85.76 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.166 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.18 -29.66 61.86 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.013 0.525 . . . . 0.0 110.294 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.81 -53.57 48.78 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.09 -36.23 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.038 0.935 . . . . 0.0 111.22 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -63.34 -35.96 82.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.141 1.377 . . . . 0.0 111.616 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -85.29 -47.91 9.59 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.538 0.735 . . . . 0.0 111.562 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -93.58 -33.92 13.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.87 0.868 . . . . 0.0 112.248 -166.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.72 20.28 64.02 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.503 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.84 157.7 36.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.489 0.716 . . . . 0.0 110.703 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.02 157.07 83.83 Favored Pre-proline 0 CA--C 1.561 1.377 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -57.88 -39.34 87.54 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 123.085 2.524 . . . . 0.0 113.351 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -48.72 67.55 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.829 0.705 . . . . 0.0 112.842 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.92 -42.18 97.46 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.439 1.096 . . . . 0.0 110.739 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -54.79 41.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.054 0.942 . . . . 0.0 110.71 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -39.4 88.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.542 1.137 . . . . 0.0 111.121 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.75 -45.24 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.054 0.941 . . . . 0.0 110.915 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.1 mt -67.13 -41.63 85.84 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.001 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.49 -33.5 75.22 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.053 -176.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -66.48 -28.0 68.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.475 0.579 . . . . 0.0 111.017 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.37 -13.87 77.71 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.429 0.456 . . . . 0.0 113.005 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 72.3 mmtt -112.37 6.63 18.85 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.438 0.695 . . . . 0.0 112.374 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t30 64.75 25.93 13.0 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.165 0.986 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 71.08 19.05 5.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.3 119.03 18.85 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.98 -52.35 65.78 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.291 0.994 . . . . 0.0 110.722 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.9 m -61.74 -40.54 95.44 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.339 1.024 . . . . 0.0 111.959 -172.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.58 90.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.833 0.853 . . . . 0.0 110.864 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -37.76 63.42 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.638 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.6 -46.16 91.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.55 0.74 . . . . 0.0 109.726 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 t -64.05 -33.78 76.54 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.961 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -73.1 -40.7 64.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.523 0.729 . . . . 0.0 111.654 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.79 -47.49 74.98 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.679 0.391 . . . . 0.0 110.924 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.548 0.892 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 177.2 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtt -57.53 -33.46 68.11 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.894 0.878 . . . . 0.0 112.054 -173.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.81 -45.67 88.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.393 0.677 . . . . 0.0 110.651 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.49 76.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.277 0.631 . . . . 0.0 111.493 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.92 -34.96 71.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 123.243 0.617 . . . . 0.0 110.28 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.17 -50.73 52.57 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.282 1.033 . . . . 0.0 110.936 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -65.41 -45.98 81.79 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.534 0.734 . . . . 0.0 111.143 -173.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.16 -34.89 78.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.607 0.763 . . . . 0.0 111.579 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.31 -57.4 11.51 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.529 0.332 . . . . 0.0 110.412 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -43.77 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.317 1.047 . . . . 0.0 111.34 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -68.62 -33.15 73.53 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.578 0.751 . . . . 0.0 111.852 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 t -81.02 -50.9 9.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.94 0.496 . . . . 0.0 111.288 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 68.3 p -85.92 -30.8 22.55 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.774 0.83 . . . . 0.0 112.133 -169.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.34 19.55 62.16 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.539 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.73 159.25 28.04 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.345 0.658 . . . . 0.0 111.15 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -86.58 155.59 56.45 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.49 -41.28 79.51 Favored 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 123.497 2.798 . . . . 0.0 113.767 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.03 -48.34 48.23 Favored Glycine 0 C--N 1.345 1.078 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.774 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 tp -59.85 -45.39 92.58 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.696 0.798 . . . . 0.0 110.417 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.2 -57.87 10.72 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.449 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -39.18 93.99 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.406 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.8 -39.58 93.82 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.354 0.662 . . . . 0.0 110.827 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.7 mt -66.61 -47.19 73.47 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.237 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.0 -42.41 85.1 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.119 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.01 -39.83 87.17 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.866 0.303 . . . . 0.0 111.087 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.59 -21.08 79.81 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.336 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' A' ' 59' ' ' ALA . 11.1 mmpt? -100.35 18.04 19.93 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.1 t30 63.22 22.34 13.3 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.413 1.085 . . . . 0.0 111.286 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.6 m95 56.02 28.57 12.98 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.466 1.906 . . . . 0.0 112.481 -173.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.22 115.26 23.66 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 65.3 tp -54.79 -50.52 68.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.246 1.018 . . . . 0.0 111.482 -176.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.9 m -62.66 -36.77 83.93 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.534 0.733 . . . . 0.0 111.518 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.44 92.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.546 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.529 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -71.89 -37.78 70.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.575 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 91.8 mt -61.17 -47.5 85.89 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.27 0.628 . . . . 0.0 109.369 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 t -64.19 -42.05 96.82 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.808 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 24.9 t70 -71.82 -44.89 63.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.856 0.463 . . . . 0.0 110.711 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 80.1 t80 -59.62 -52.07 67.1 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.793 0.683 . . . . 0.0 110.285 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.35 0.625 0 O-C-N 123.697 0.623 . . . . 0.0 110.205 -175.419 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.466 0.366 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.9 mtt -52.96 -35.37 58.8 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.128 0.971 . . . . 0.0 113.26 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.09 -45.2 67.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.179 0.591 . . . . 0.0 110.188 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.64 82.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.259 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -70.98 -37.92 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.471 1.108 . . . . 0.0 110.597 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.3 -49.97 69.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.229 0.612 . . . . 0.0 110.074 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.8 t -67.14 -38.49 85.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.112 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.71 -40.57 66.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.37 0.668 . . . . 0.0 110.078 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.47 -54.21 49.4 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.585 0.553 . . . . 0.0 109.557 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.65 -37.0 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.451 1.1 . . . . 0.0 111.545 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -74.17 -34.71 63.88 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.943 0.897 . . . . 0.0 111.588 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 m -87.0 -37.66 17.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.173 0.589 . . . . 0.0 111.785 -175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 p -96.15 -28.75 14.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.706 0.802 . . . . 0.0 111.558 -172.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 7.31 87.97 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.518 -173.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -74.87 154.02 38.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 109.94 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.19 158.79 81.46 Favored Pre-proline 0 CA--C 1.554 1.101 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.73 -30.3 84.74 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.987 2.458 . . . . 0.0 113.394 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -47.96 31.36 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.597 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 48.0 tp -62.46 -43.01 99.85 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.861 0.864 . . . . 0.0 110.093 176.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.85 16.95 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.311 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -55.64 -40.83 72.71 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.601 1.16 . . . . 0.0 111.227 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.35 -48.95 78.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.462 0.705 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 55.6 mt -69.39 -39.5 77.94 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.693 0.62 . . . . 0.0 110.216 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.15 -51.16 70.21 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.003 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG2' ' HE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -58.8 -34.54 71.6 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.107 0.563 . . . . 0.0 111.603 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.81 -22.74 78.26 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.617 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.642 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 44.6 mmtm -107.54 19.61 19.98 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.862 0.865 . . . . 0.0 112.734 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.75 31.74 14.07 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 122.714 1.245 . . . . 0.0 110.095 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.409 ' HE1' ' HG2' ' A' ' 50' ' ' GLU . 60.8 m95 57.32 18.3 4.25 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 126.498 1.919 . . . . 0.0 113.756 -175.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.83 112.31 12.09 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.5 -46.21 69.95 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.379 1.049 . . . . 0.0 111.377 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -62.21 -44.78 95.81 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.148 0.979 . . . . 0.0 111.875 -171.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.62 68.16 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.132 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.78 -35.15 64.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.294 0.638 . . . . 0.0 111.507 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.61 0.764 . . . . 0.0 109.689 175.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 t -73.55 -28.49 61.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.642 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 36.2 t70 -68.62 -46.52 69.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.404 0.682 . . . . 0.0 109.859 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.4 -51.22 70.29 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.067 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 N--CA 1.491 1.622 0 C-N-CA 122.753 0.421 . . . . 0.0 110.619 -177.347 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -55.83 -41.47 74.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.843 0.857 . . . . 0.0 112.653 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.78 -40.42 91.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.86 0.864 . . . . 0.0 111.25 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.22 71.31 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.971 0.508 . . . . 0.0 110.872 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 56' ' ' LEU . 71.5 t -65.16 -33.91 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.474 1.11 . . . . 0.0 111.123 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -60.71 -46.79 89.06 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.759 173.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -65.86 -40.28 91.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.016 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.0 -47.16 86.98 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.531 0.733 . . . . 0.0 110.346 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.94 -59.18 5.79 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.644 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.1 t -55.8 -37.08 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.962 0.905 . . . . 0.0 111.837 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.67 -30.61 65.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.894 0.877 . . . . 0.0 111.253 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 m -89.64 -34.5 16.27 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.401 0.68 . . . . 0.0 112.225 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -102.7 -26.42 13.18 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.537 0.735 . . . . 0.0 112.308 -168.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.09 78.73 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.891 -173.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.51 162.55 28.7 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.486 0.714 . . . . 0.0 111.068 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.66 158.22 78.72 Favored Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -54.89 -38.7 92.56 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 123.156 2.571 . . . . 0.0 113.463 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.14 -50.51 45.3 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.122 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.64 -37.74 85.13 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.702 0.801 . . . . 0.0 110.239 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -55.94 27.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.928 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -37.91 81.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.231 1.012 . . . . 0.0 111.587 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.3 -50.57 69.53 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.459 0.704 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 87.5 mt -67.97 -40.75 83.11 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.627 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.98 -56.18 24.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.308 0.643 . . . . 0.0 110.965 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -60.97 -31.63 71.2 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.343 0.657 . . . . 0.0 112.085 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.83 -26.61 71.29 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.735 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 69.0 mmtt -109.18 21.08 17.59 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.526 0.73 . . . . 0.0 112.121 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 67.75 33.97 4.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.13 0.967 . . . . 0.0 110.512 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 60.81 12.2 3.65 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 125.948 1.699 . . . . 0.0 114.147 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.29 104.56 2.27 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.514 ' HB2' HG13 ' A' ' 30' ' ' VAL . 68.0 tp -49.44 -53.85 20.72 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.82 1.325 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -59.33 -42.35 91.28 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.189 0.995 . . . . 0.0 112.118 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.61 78.21 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.258 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.02 -40.14 68.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.789 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.1 mt -58.61 -45.54 88.94 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.623 0.769 . . . . 0.0 110.511 175.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -65.96 -36.9 84.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.375 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.76 -38.61 83.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.666 0.786 . . . . 0.0 110.555 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.96 -45.24 74.77 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.061 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.479 0.984 0 C-N-CA 122.198 0.199 . . . . 0.0 110.561 179.396 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.3 mtt -60.49 -28.02 68.03 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.39 -40.0 70.83 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.969 0.508 . . . . 0.0 109.659 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.17 -41.84 73.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.258 0.623 . . . . 0.0 110.59 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.96 -38.3 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.354 0.662 . . . . 0.0 110.838 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.1 tp -69.56 -50.82 41.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.886 0.474 . . . . 0.0 110.161 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -48.34 72.95 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.732 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.63 -31.07 68.96 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.542 0.737 . . . . 0.0 112.016 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -60.9 -56.14 24.73 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.01 -38.74 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.374 1.07 . . . . 0.0 111.874 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.58 -30.29 61.65 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.664 0.785 . . . . 0.0 111.498 -176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.4 t -89.99 -36.83 14.73 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.798 0.439 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.461 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 81.2 p -96.01 -34.09 11.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.354 0.662 . . . . 0.0 111.887 -171.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.1 20.8 60.14 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.596 -172.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.65 149.86 27.14 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.361 0.664 . . . . 0.0 110.338 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.77 158.46 84.71 Favored Pre-proline 0 CA--C 1.557 1.245 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -56.97 -36.81 99.4 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 123.383 2.722 . . . . 0.0 113.856 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -48.18 53.36 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.194 0.309 . . . . 0.0 112.942 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.31 -42.01 97.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.788 0.835 . . . . 0.0 110.202 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.33 -56.9 13.95 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.196 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -41.95 71.02 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.411 1.084 . . . . 0.0 111.681 178.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.6 -49.75 72.11 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.74 0.65 . . . . 0.0 111.041 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.2 mt -59.9 -50.19 74.75 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.681 0.613 . . . . 0.0 109.775 177.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -55.41 -54.02 49.03 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.066 0.854 . . . . 0.0 111.839 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 34.6 mt-10 -57.13 -33.95 67.89 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.667 0.387 . . . . 0.0 111.944 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.88 -27.78 71.71 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.739 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mmtt -100.95 14.59 31.4 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.315 0.646 . . . . 0.0 111.457 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 68.15 24.09 7.76 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.967 1.307 . . . . 0.0 112.305 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 82.7 m95 69.22 14.93 8.63 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 126.405 1.882 . . . . 0.0 112.747 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.19 107.76 3.35 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.0 tp -52.58 -56.93 11.87 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 110.668 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.6 m -60.97 -36.52 79.65 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.096 0.959 . . . . 0.0 112.423 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.61 90.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.081 0.552 . . . . 0.0 110.975 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.49 70.38 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.7 mt -60.7 -47.64 85.37 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.193 0.597 . . . . 0.0 109.528 176.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.5 t -69.8 -31.43 69.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.669 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.24 -47.47 61.21 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.85 0.46 . . . . 0.0 110.179 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 81.7 t80 -57.22 -49.1 77.05 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.178 0.991 . . . . 0.0 111.075 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -179.845 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.3 mtt -53.53 -41.64 66.61 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.886 0.875 . . . . 0.0 112.271 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.64 -48.61 74.21 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.115 0.566 . . . . 0.0 110.249 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.16 82.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.235 0.614 . . . . 0.0 111.689 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.1 t -73.85 -47.16 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.964 0.905 . . . . 0.0 110.842 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.34 -44.97 86.04 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.387 0.675 . . . . 0.0 110.553 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -67.42 -41.29 85.07 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.341 0.656 . . . . 0.0 111.05 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.74 -46.11 86.81 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.642 0.589 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -59.48 -60.03 4.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.302 1.001 . . . . 0.0 110.466 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.0 t -57.28 -45.07 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.623 0.769 . . . . 0.0 111.499 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -70.18 -38.35 75.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.395 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.1 t -78.5 -54.97 5.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.073 0.549 . . . . 0.0 110.677 -176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.415 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.7 p -75.74 -21.8 57.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.475 0.71 . . . . 0.0 111.805 -173.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.05 29.27 62.95 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.032 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.04 176.4 9.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.632 0.773 . . . . 0.0 111.059 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -96.73 158.92 32.79 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -58.08 -38.06 93.2 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.129 2.552 . . . . 0.0 112.655 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.39 -50.45 55.64 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.773 0.671 . . . . 0.0 113.506 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.11 -48.68 80.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.704 0.802 . . . . 0.0 110.477 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.1 -57.41 12.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.545 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -59.62 -38.86 82.46 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.36 1.064 . . . . 0.0 111.402 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.78 -41.08 92.45 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.269 0.628 . . . . 0.0 111.03 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.22 -42.58 88.51 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.652 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.89 -45.87 91.88 Favored 'General case' 0 C--O 1.212 -0.912 0 O-C-N 124.031 0.832 . . . . 0.0 111.334 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.8 mt-10 -58.48 -39.19 79.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.781 0.432 . . . . 0.0 110.945 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 -20.32 79.9 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.565 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -108.24 17.74 21.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.449 0.7 . . . . 0.0 112.418 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t30 62.11 25.85 15.51 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.509 1.147 . . . . 0.0 111.111 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.8 m95 64.51 18.75 11.53 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.27 1.828 . . . . 0.0 112.326 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -75.72 105.6 6.84 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.7 -55.77 10.44 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.981 1.426 . . . . 0.0 111.811 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.7 m -58.35 -39.41 79.43 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.992 0.917 . . . . 0.0 112.513 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.3 -38.1 78.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.835 0.854 . . . . 0.0 111.001 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.89 -37.36 67.32 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.09 -46.43 87.44 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.594 0.758 . . . . 0.0 109.431 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -63.68 -33.63 76.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.773 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.8 -37.91 62.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.505 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 66.8 t80 -64.5 -51.99 60.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.312 0.645 . . . . 0.0 110.893 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 123.22 0.608 . . . . 0.0 110.717 178.423 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.03 -32.23 65.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.072 0.949 . . . . 0.0 112.283 -174.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.95 -46.96 69.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.177 0.591 . . . . 0.0 110.219 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.13 86.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.701 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 56' ' ' LEU . 91.8 t -67.64 -36.62 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.388 1.075 . . . . 0.0 110.81 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.34 0.656 . . . . 0.0 109.908 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -64.31 -39.71 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.471 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.1 -46.11 78.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.502 0.721 . . . . 0.0 110.388 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -58.69 -53.5 57.7 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.9 -39.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 124.207 1.003 . . . . 0.0 111.829 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -67.43 -36.65 81.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.581 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -82.9 -45.16 14.54 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.749 0.82 . . . . 0.0 111.795 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.429 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.6 p -95.04 -27.17 15.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.821 0.848 . . . . 0.0 111.648 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.77 6.05 89.34 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.932 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . . . -72.36 148.53 45.2 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 155.63 88.94 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -55.77 -32.9 86.18 Favored 'Trans proline' 0 N--CA 1.506 2.26 0 C-N-CA 123.428 2.752 . . . . 0.0 113.616 -178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -49.64 55.3 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.504 -0.317 . . . . 0.0 112.463 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.94 -40.38 94.94 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.813 0.845 . . . . 0.0 110.014 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.4 65.23 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.974 1.31 . . . . 0.0 111.071 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.44 83.91 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.591 1.157 . . . . 0.0 111.034 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.13 -44.59 97.1 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.301 0.64 . . . . 0.0 111.048 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 73.4 mt -70.86 -40.47 72.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.6 mt -67.21 -50.91 59.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.93 0.892 . . . . 0.0 111.411 -175.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 44.6 mt-10 -57.03 -36.54 70.59 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.801 0.841 . . . . 0.0 111.95 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.15 -20.17 74.66 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.327 -0.852 . . . . 0.0 113.442 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 36.5 mmtm -105.89 15.74 26.18 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.881 0.872 . . . . 0.0 111.502 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.7 t30 62.81 39.51 10.7 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.542 1.163 . . . . 0.0 110.033 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.489 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 79.0 m95 55.72 25.9 8.8 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.447 1.899 . . . . 0.0 113.901 -174.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.78 109.35 9.3 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' HB2' HG13 ' A' ' 30' ' ' VAL . 60.3 tp -52.41 -52.02 56.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' ' 60' ' ' LEU . 5.5 m -64.24 -34.5 78.26 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.432 1.093 . . . . 0.0 112.458 -172.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.15 -33.11 50.48 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.733 0.813 . . . . 0.0 111.187 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -35.19 64.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.514 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 57' ' ' THR . 95.2 mt -60.11 -45.1 94.1 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.993 0.917 . . . . 0.0 109.792 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.2 t -64.48 -38.08 89.77 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.787 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -68.3 -42.26 79.73 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.334 0.654 . . . . 0.0 111.133 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 69.2 t80 -67.99 -45.83 73.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.649 0.779 . . . . 0.0 111.627 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.324 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.83 138.58 44.35 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.579 0.751 . . . . 0.0 109.806 177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 61.26 15.49 6.47 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 124.679 1.192 . . . . 0.0 112.466 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.4 m -69.12 -34.51 75.17 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.929 0.891 . . . . 0.0 110.744 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -85.99 -70.51 0.59 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.087 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -150.6 -62.87 0.2 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.101 0.56 . . . . 0.0 110.41 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.39 91.89 0.06 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.636 1.174 . . . . 0.0 109.905 -170.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.76 94.89 0.63 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.635 0.774 . . . . 0.0 109.367 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.9 mt -115.42 174.48 5.98 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.018 0.927 . . . . 0.0 110.615 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.6 t60 72.32 4.43 5.0 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 125.013 1.325 . . . . 0.0 112.841 171.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -103.79 124.04 39.14 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 123.743 0.817 . . . . 0.0 110.245 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -64.5 -45.28 9.43 Favored 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.011 2.474 . . . . 0.0 113.028 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.1 ttt -174.67 -55.52 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.512 1.125 . . . . 0.0 108.191 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.3 t -148.88 -52.77 0.17 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.342 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 tt -175.57 128.11 0.25 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.092 0.957 . . . . 0.0 109.235 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -126.22 112.45 15.77 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 170.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.6 mtt -52.99 -40.3 63.67 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.968 0.907 . . . . 0.0 112.969 -172.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.32 -37.87 74.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.315 0.646 . . . . 0.0 111.36 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.72 76.3 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.214 0.531 . . . . 0.0 111.026 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.49 -35.97 76.55 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 C-N-CA 124.414 1.086 . . . . 0.0 110.277 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -65.47 -54.42 28.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.107 0.963 . . . . 0.0 110.463 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.4 t -64.22 -43.3 95.4 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.496 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -66.72 -40.28 88.32 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.702 0.626 . . . . 0.0 110.745 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.94 -53.76 52.89 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.7 t -57.56 -37.18 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 124.483 1.113 . . . . 0.0 111.614 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -73.39 -33.27 64.92 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.915 1.286 . . . . 0.0 111.344 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.1 t -94.67 -26.27 16.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.791 0.836 . . . . 0.0 111.816 -170.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.4 p -110.12 -27.71 9.03 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.09 0.556 . . . . 0.0 111.888 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.12 8.03 82.5 Favored Glycine 0 C--N 1.349 1.25 0 O-C-N 123.192 0.308 . . . . 0.0 113.105 -174.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.547 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -75.87 163.55 27.1 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.805 0.842 . . . . 0.0 110.866 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -79.28 156.28 76.37 Favored Pre-proline 0 CA--C 1.56 1.346 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -62.31 -33.0 81.68 Favored 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 123.249 2.633 . . . . 0.0 113.722 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.41 -48.88 60.35 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD23 ' HB1' ' A' ' 40' ' ' ALA . 58.5 tp -61.28 -39.68 91.31 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.451 1.1 . . . . 0.0 110.411 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.58 -57.19 14.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.459 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.52 -43.89 68.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.895 1.278 . . . . 0.0 111.541 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.24 -48.38 70.72 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 123.901 0.75 . . . . 0.0 111.035 -175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 83.8 mt -59.58 -47.42 85.64 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 123.538 0.524 . . . . 0.0 109.929 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.67 -42.31 88.17 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.039 0.936 . . . . 0.0 111.747 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -61.83 -35.34 77.96 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.476 0.58 . . . . 0.0 110.834 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.57 -13.31 83.59 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 115.709 -0.678 . . . . 0.0 113.303 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -108.17 5.43 25.83 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 117.422 0.611 . . . . 0.0 111.567 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.0 t30 66.5 23.06 10.54 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.469 1.128 . . . . 0.0 110.554 -176.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.2 m95 69.68 19.24 7.35 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.244 1.818 . . . . 0.0 111.629 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.55 102.07 2.15 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.3 tp -51.8 -57.79 8.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.252 1.421 . . . . 0.0 112.054 -173.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -63.34 -33.98 76.7 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.576 0.75 . . . . 0.0 111.788 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.11 92.87 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.455 0.702 . . . . 0.0 110.894 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.97 -42.45 76.6 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.523 0.729 . . . . 0.0 110.827 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.0 mt -58.75 -46.5 87.29 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.698 0.799 . . . . 0.0 109.98 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -69.68 -34.22 73.65 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.812 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.82 -51.2 51.32 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.314 0.646 . . . . 0.0 110.602 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -59.83 -49.82 76.22 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.405 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.7 pt-20 -67.65 -27.8 67.17 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.766 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.01 -50.06 67.77 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.334 0.654 . . . . 0.0 111.238 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.86 -13.78 62.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.774 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -87.87 -23.9 23.83 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.343 0.657 . . . . 0.0 112.586 171.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 25.0 mm-40 -71.1 -60.29 2.31 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 118.091 0.405 . . . . 0.0 110.793 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' A' ' 72' ' ' ALA . 47.5 t 60.02 82.6 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 124.353 1.061 . . . . 0.0 110.082 -175.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -84.88 86.87 7.32 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 122.039 -0.413 . . . . 0.0 111.43 -172.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.6 m 56.51 34.93 25.19 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 122.703 1.24 . . . . 0.0 110.82 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' A' ' 69' ' ' VAL . . . -89.91 -32.11 16.99 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.154 -176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -88.44 -53.04 4.86 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.832 0.453 . . . . 0.0 110.329 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -90.55 143.03 28.57 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 122.979 0.512 . . . . 0.0 110.278 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -52.6 -49.15 18.46 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 123.706 2.937 . . . . 0.0 114.288 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -148.51 98.47 2.89 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.429 0.633 . . . . 0.0 110.739 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.63 103.3 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -137.26 92.46 2.71 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.957 0.503 . . . . 0.0 110.103 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -90.25 172.57 8.68 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -65.79 89.12 0.11 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 171.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.08 167.55 12.36 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.717 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -112.38 135.74 52.7 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.749 0.82 . . . . 0.0 110.153 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.71 -1.05 . . . . 0.0 112.849 175.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.58 19.88 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 58.37 94.31 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.263 1.425 . . . . 0.0 110.143 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.9 m -71.93 76.25 0.9 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 121.743 0.782 . . . . 0.0 111.871 -175.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.618 ' HZ3' ' HD2' ' A' ' 36' ' ' ARG . 51.0 m95 -109.02 59.42 0.6 Allowed 'General case' 0 C--O 1.241 0.647 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 172.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.02 -46.88 84.57 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.159 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.65 88.49 0.07 Allowed 'General case' 0 C--N 1.354 0.777 0 O-C-N 124.893 1.371 . . . . 0.0 111.651 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.9 pt? -124.89 152.87 43.49 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.526 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.8 tp -85.77 41.53 0.91 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.784 0.834 . . . . 0.0 110.45 -174.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -172.64 -103.09 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.895 0.878 . . . . 0.0 109.141 173.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.8 161.94 0.58 Allowed Pre-proline 0 N--CA 1.493 1.686 0 C-N-CA 124.687 1.195 . . . . 0.0 108.116 -177.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -54.68 -60.54 0.56 Allowed 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 123.382 2.721 . . . . 0.0 114.558 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.2 mtp -119.14 -62.3 1.53 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.223 0.609 . . . . 0.0 112.208 -167.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 t -153.92 -35.78 0.1 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.953 0.901 . . . . 0.0 110.003 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.9 tt -171.0 137.84 1.23 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 173.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -127.93 110.91 13.0 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -56.26 -38.21 70.85 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.62 0.768 . . . . 0.0 112.84 -174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.51 -38.93 71.09 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.756 0.422 . . . . 0.0 110.244 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.2 71.42 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.979 0.512 . . . . 0.0 110.826 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.1 t -68.23 -34.19 64.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 124.103 0.961 . . . . 0.0 110.459 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.48 -48.18 65.13 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.17 0.588 . . . . 0.0 109.611 176.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 t -60.79 -46.22 91.35 Favored 'General case' 0 C--O 1.248 0.991 0 C-N-CA 123.71 0.804 . . . . 0.0 110.908 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 -53.15 54.27 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.495 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.25 -57.51 10.9 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 124.029 0.831 . . . . 0.0 111.706 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 40' ' ' ALA . 72.4 t -52.08 -44.74 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 124.063 0.852 . . . . 0.0 110.958 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.618 ' HD2' ' HZ3' ' A' ' 15' ' ' TRP . 71.9 ttt180 -72.43 -32.8 66.61 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.598 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -87.88 -11.51 47.53 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.631 0.773 . . . . 0.0 112.757 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.563 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 47.4 p -118.8 -35.42 3.69 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.37 21.81 53.29 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.503 -169.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 35' ' ' VAL . . . -79.94 168.59 19.02 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.571 0.748 . . . . 0.0 110.142 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -96.61 156.53 36.57 Favored Pre-proline 0 N--CA 1.483 1.189 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -60.87 -29.76 88.75 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.111 2.541 . . . . 0.0 113.684 -172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.59 -52.99 18.25 Favored Glycine 0 C--N 1.348 1.235 0 N-CA-C 112.199 -0.361 . . . . 0.0 112.199 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -63.11 -31.3 72.41 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.771 0.829 . . . . 0.0 110.671 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.97 35.82 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.527 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -41.88 70.23 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.261 0.975 . . . . 0.0 110.824 175.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -57.9 -58.1 9.87 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.983 0.913 . . . . 0.0 111.235 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.0 mt -63.08 -43.53 98.29 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.041 0.838 . . . . 0.0 110.987 -176.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 mt -59.0 -54.59 45.36 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.688 0.795 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -60.31 -32.7 71.47 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.84 0.456 . . . . 0.0 111.658 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 -20.2 73.56 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 113.282 175.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 70.1 mmtt -109.17 12.47 24.98 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 0.0 111.447 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 68.94 37.74 2.19 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.633 1.173 . . . . 0.0 110.968 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.6 m95 54.74 16.24 1.34 Allowed 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 125.972 1.709 . . . . 0.0 114.025 -170.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.44 104.81 3.91 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.7 tp -50.09 -51.12 45.35 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 124.794 1.308 . . . . 0.0 111.18 -175.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -58.81 -46.47 87.54 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.285 0.99 . . . . 0.0 112.177 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.86 86.23 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.514 0.725 . . . . 0.0 111.497 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.98 -42.84 72.57 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.782 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.8 mt -55.78 -49.18 73.88 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.545 0.738 . . . . 0.0 109.21 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.0 m -62.83 -34.06 76.54 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.447 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.36 -40.97 66.93 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.253 0.621 . . . . 0.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.563 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 47.1 t80 -75.05 -41.17 59.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.927 -176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.59 -24.74 65.53 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -49.72 64.97 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.37 -11.73 60.58 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.477 0.311 . . . . 0.0 111.71 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 7.6 mmp_? -78.53 -41.26 32.73 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.704 0.401 . . . . 0.0 110.733 171.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -78.93 -28.14 43.78 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.061 0.544 . . . . 0.0 110.957 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 t 45.95 72.68 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 125.628 1.571 . . . . 0.0 110.524 -170.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -61.33 -31.09 70.95 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.961 0.904 . . . . 0.0 111.658 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -75.12 -6.26 48.6 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.927 0.891 . . . . 0.0 112.515 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.95 151.78 23.47 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.991 0.516 . . . . 0.0 111.148 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -113.85 92.33 3.94 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.86 141.07 33.25 Favored Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 171.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -48.01 -41.64 32.9 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 123.059 2.506 . . . . 0.0 111.828 165.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -72.67 97.26 2.14 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 170.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.86 96.16 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 C-N-CA 123.774 0.829 . . . . 0.0 110.531 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -82.77 64.53 7.45 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.404 1.081 . . . . 0.0 110.372 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 62.98 93.18 0.06 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.907 1.283 . . . . 0.0 110.975 -173.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -62.6 113.62 3.09 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.225 0.61 . . . . 0.0 110.418 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -155.23 154.33 25.44 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.679 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -161.72 15.78 0.1 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.645 1.178 . . . . 0.0 109.877 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.223 0 CA-C-O 118.771 -1.016 . . . . 0.0 112.825 -179.587 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.6 -73.67 0.25 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.344 0.658 . . . . 0.0 109.41 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 54.58 15.87 1.18 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.235 1.414 . . . . 0.0 114.178 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -141.74 127.8 19.58 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.286 0.635 . . . . 0.0 109.413 -175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.618 ' HB3' HD13 ' A' ' 18' ' ' LEU . 88.4 m95 -134.2 71.45 1.45 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.557 0.694 . . . . 0.0 109.888 -176.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.5 -6.35 58.03 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.555 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.9 -23.71 63.28 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.81 0.844 . . . . 0.0 112.121 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD13 ' HB3' ' A' ' 15' ' ' TRP . 7.5 mp -83.4 176.77 8.84 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.054 0.941 . . . . 0.0 110.863 -176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.9 159.75 34.09 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.346 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.52 -28.79 19.4 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.052 0.541 . . . . 0.0 110.954 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.36 127.44 18.83 Favored Pre-proline 0 CA--C 1.551 1.011 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -58.89 -21.76 59.25 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 123.728 2.952 . . . . 0.0 115.671 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 ttt -153.14 -80.17 0.1 Allowed 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 118.271 0.487 . . . . 0.0 111.955 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.2 t -143.51 -37.3 0.35 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.569 0.748 . . . . 0.0 110.2 -172.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -166.09 102.37 0.64 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.343 1.057 . . . . 0.0 108.474 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -107.24 102.47 11.77 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 171.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 66.7 mtt -61.94 -25.87 67.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.849 0.86 . . . . 0.0 112.471 -173.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.47 -43.13 70.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.294 0.638 . . . . 0.0 109.899 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.84 77.44 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.58 0.752 . . . . 0.0 111.464 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 56' ' ' LEU . 77.9 t -65.56 -43.35 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.005 0.922 . . . . 0.0 110.218 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.72 -45.58 82.16 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.277 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.8 t -62.9 -42.37 99.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.943 -177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.2 -39.27 78.75 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.941 0.775 . . . . 0.0 110.566 -175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -57.8 -54.95 41.07 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.446 0.698 . . . . 0.0 109.622 174.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.0 t -65.86 -29.22 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 124.209 1.004 . . . . 0.0 111.542 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -75.73 -33.24 60.27 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.588 0.755 . . . . 0.0 110.616 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.2 t -83.0 -57.74 3.16 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.398 0.679 . . . . 0.0 110.62 -176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.0 p -84.51 -26.82 27.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.103 0.961 . . . . 0.0 111.919 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.28 19.22 78.61 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.981 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.15 165.69 22.21 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.589 0.756 . . . . 0.0 111.676 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.21 136.76 95.63 Favored Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 123.615 0.766 . . . . 0.0 109.867 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -66.08 -30.98 46.67 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.836 2.357 . . . . 0.0 112.998 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.38 83.46 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.82 -47.36 83.77 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.973 0.909 . . . . 0.0 109.924 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.08 71.57 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 114.068 -1.423 . . . . 0.0 110.908 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.39 -43.48 79.33 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.842 1.257 . . . . 0.0 111.488 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.78 -47.37 85.49 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.211 0.604 . . . . 0.0 110.921 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.7 mt -65.46 -36.06 82.78 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.3 -53.33 45.45 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.804 0.842 . . . . 0.0 110.355 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -53.31 -44.06 68.06 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.788 0.835 . . . . 0.0 111.548 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.06 76.14 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.406 -0.816 . . . . 0.0 113.358 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.7 mmtm -97.67 12.12 34.74 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.369 0.667 . . . . 0.0 111.902 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 70.41 32.19 2.81 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.74 1.216 . . . . 0.0 111.633 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.7 m95 60.32 21.55 11.05 Favored 'General case' 0 N--CA 1.492 1.668 0 C-N-CA 126.018 1.727 . . . . 0.0 112.86 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.85 99.9 1.83 Allowed 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.563 ' HB2' HG13 ' A' ' 30' ' ' VAL . 55.9 tp -53.48 -52.25 60.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.408 1.068 . . . . 0.0 111.491 -177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -63.82 -36.8 85.11 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 124.032 0.832 . . . . 0.0 111.979 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.91 73.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.65 0.78 . . . . 0.0 111.271 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.84 -34.73 60.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.833 0.453 . . . . 0.0 111.055 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.54 -46.28 90.76 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.672 0.789 . . . . 0.0 109.464 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -64.12 -30.98 72.01 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 124.18 0.925 . . . . 0.0 111.639 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.85 -42.72 57.42 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.642 0.777 . . . . 0.0 110.989 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -68.07 -45.97 72.36 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.757 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 12.3 pt-20 -69.33 -24.94 63.99 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -61.66 -53.28 58.27 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.315 1.046 . . . . 0.0 110.909 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 67' ' ' ARG . 4.6 pp -73.79 -20.12 60.57 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.808 0.443 . . . . 0.0 111.512 -178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' HG2' HD12 ' A' ' 66' ' ' LEU . 3.6 mmp_? -88.58 -17.4 30.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.529 0.731 . . . . 0.0 112.0 173.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 6.8 tp-100 -70.33 -50.59 37.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.303 0.641 . . . . 0.0 110.027 -177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.9 t 55.39 85.77 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.86 1.264 . . . . 0.0 111.408 175.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -120.46 -59.52 1.76 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.719 0.808 . . . . 0.0 110.645 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 t -75.43 -23.13 56.91 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.842 0.353 . . . . 0.0 110.187 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.68 4.19 53.31 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.296 1.038 . . . . 0.0 111.394 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -94.77 149.52 21.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.144 0.578 . . . . 0.0 110.913 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.12 154.74 60.57 Favored Pre-proline 0 CA--C 1.559 1.298 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.592 172.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.57 80.19 0.33 Allowed 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.946 2.431 . . . . 0.0 112.336 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -146.46 94.58 2.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.372 1.069 . . . . 0.0 108.96 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.47 135.05 29.11 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 170.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -81.73 74.7 8.7 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.412 0.685 . . . . 0.0 109.759 -173.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -95.35 102.78 14.61 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.45 1.1 . . . . 0.0 108.217 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -75.89 115.59 15.75 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.269 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.17 79.27 0.77 Allowed Glycine 0 C--N 1.344 0.981 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 170.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.3 mtp-105 68.09 98.1 0.06 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.291 1.436 . . . . 0.0 110.69 -173.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 CA-C-O 119.026 -0.874 . . . . 0.0 112.588 -179.401 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 121.148 0.499 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.51 -7.48 20.84 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.907 0.883 . . . . 0.0 109.715 165.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -52.63 -62.65 1.51 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.578 1.551 . . . . 0.0 111.477 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.64 110.34 22.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.23 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -64.74 90.51 0.08 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.56 0.695 . . . . 0.0 109.619 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.83 -41.37 0.01 OUTLIER 'General case' 0 C--O 1.238 0.471 0 CA-C-N 114.051 -1.432 . . . . 0.0 107.521 -175.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.98 154.95 17.77 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.227 171.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mp 71.24 162.59 0.25 Allowed 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.066 1.346 . . . . 0.0 110.21 -165.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.84 104.85 0.59 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.769 0.828 . . . . 0.0 110.833 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -138.51 87.57 2.24 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.924 0.89 . . . . 0.0 110.441 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.518 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 15.8 m-20 68.84 172.51 0.1 OUTLIER Pre-proline 0 N--CA 1.493 1.724 0 C-N-CA 124.154 0.982 . . . . 0.0 111.318 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 21' ' ' ASP . 30.2 Cg_endo -61.39 -18.9 61.85 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 122.273 1.982 . . . . 0.0 112.603 172.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 63.3 mtt -106.04 67.28 0.74 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.001 0.92 . . . . 0.0 109.169 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 t -78.51 -27.79 46.16 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.779 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 54' ' ' TRP . 6.4 tt -77.06 133.08 39.18 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 172.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -127.54 113.85 16.66 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -38.81 66.07 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.57 0.748 . . . . 0.0 112.726 -173.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.95 -40.69 83.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.862 0.865 . . . . 0.0 111.023 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.94 -47.95 67.28 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.684 0.794 . . . . 0.0 111.138 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.61 -37.71 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 123.969 0.907 . . . . 0.0 110.626 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.17 -49.89 68.08 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.524 0.73 . . . . 0.0 110.545 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.1 t -64.15 -42.26 96.84 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.949 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -75.51 -29.79 59.6 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.434 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.74 -59.43 5.17 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.37 -32.31 44.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 124.765 1.226 . . . . 0.0 111.509 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -64.39 -43.52 94.19 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.715 1.206 . . . . 0.0 110.946 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -86.67 -27.55 23.7 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.617 0.767 . . . . 0.0 112.39 -173.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.9 p -106.54 -29.59 9.57 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.242 0.617 . . . . 0.0 112.055 -170.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.73 25.55 71.75 Favored Glycine 0 C--N 1.344 0.993 0 CA-C-N 116.332 -0.394 . . . . 0.0 112.654 -170.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.43 164.72 26.27 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.985 0.914 . . . . 0.0 111.949 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.24 153.89 62.91 Favored Pre-proline 0 CA--C 1.553 1.09 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 170.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -58.44 -38.21 91.26 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.985 2.457 . . . . 0.0 113.18 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.81 -50.71 45.8 Favored Glycine 0 C--N 1.351 1.413 0 O-C-N 123.37 0.418 . . . . 0.0 113.131 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 62.3 tp -57.69 -45.13 86.05 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.168 0.987 . . . . 0.0 110.643 176.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.33 -57.57 12.07 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.811 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.71 -37.8 82.92 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.32 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.68 -48.19 81.9 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.705 0.802 . . . . 0.0 110.819 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 87.4 mt -66.89 -38.11 85.67 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.298 -178.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.52 -47.03 85.69 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.563 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.2 mt-10 -58.84 -35.12 72.41 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 118.156 0.434 . . . . 0.0 111.779 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.43 73.63 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 115.802 -0.635 . . . . 0.0 113.065 175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.9 mmtm -100.11 14.21 31.5 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.723 0.809 . . . . 0.0 112.521 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.96 34.97 19.23 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.988 0.899 . . . . 0.0 111.435 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.443 ' HB3' HD21 ' A' ' 25' ' ' LEU . 83.9 m95 58.5 24.18 11.59 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.414 1.886 . . . . 0.0 113.018 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.15 116.92 18.96 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 171.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.09 -57.91 9.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.022 1.329 . . . . 0.0 110.584 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.9 m -53.08 -44.68 67.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.996 1.318 . . . . 0.0 111.971 -173.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.09 -51.38 69.39 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.105 0.962 . . . . 0.0 111.062 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.1 74.66 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.909 -175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.65 -46.21 90.75 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.31 0.644 . . . . 0.0 109.578 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -67.7 -31.24 71.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.239 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 37.5 t70 -70.94 -47.42 59.1 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.584 0.754 . . . . 0.0 110.383 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -55.84 -53.5 56.0 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.696 1.198 . . . . 0.0 111.379 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.58 -32.1 72.62 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.047 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.24 -44.73 71.38 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.692 0.397 . . . . 0.0 110.958 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.94 -23.96 59.59 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.743 0.417 . . . . 0.0 111.566 -175.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -87.73 -30.05 20.61 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -71.53 -67.67 0.51 Allowed 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t 46.42 102.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.352 1.461 . . . . 0.0 110.835 -169.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -41.59 -37.08 1.05 Allowed 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.714 1.606 . . . . 0.0 114.599 -165.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 t -143.22 -45.23 0.29 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.03 0.532 . . . . 0.0 111.325 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.56 -172.25 0.12 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.328 1.051 . . . . 0.0 111.923 -171.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -104.75 -21.37 13.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.04 0.536 . . . . 0.0 109.795 169.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.39 137.93 91.38 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 123.73 0.812 . . . . 0.0 109.752 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.27 121.35 9.53 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 123.4 2.734 . . . . 0.0 113.851 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -119.59 167.38 12.06 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.616 1.166 . . . . 0.0 109.843 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.5 m -70.61 139.73 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.971 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.47 -49.14 62.0 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.322 0.649 . . . . 0.0 110.029 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -75.93 102.76 5.7 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.621 173.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -53.75 132.71 41.68 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.178 0.991 . . . . 0.0 111.318 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -170.34 168.46 41.47 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.408 -176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.3 ptt85 -162.95 -30.45 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.779 0.831 . . . . 0.0 110.503 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 CA-C-O 119.158 -0.801 . . . . 0.0 111.419 -176.672 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.84 -175.01 2.59 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.052 0.941 . . . . 0.0 110.572 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 62.71 93.0 0.05 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.998 1.319 . . . . 0.0 112.005 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.2 m -91.5 14.61 14.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.774 0.83 . . . . 0.0 111.522 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -84.33 104.57 14.46 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.636 0.774 . . . . 0.0 110.146 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.4 92.08 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.44 0.638 . . . . 0.0 109.494 170.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.94 97.44 2.07 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.233 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tt -99.97 117.98 35.4 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 167.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.2 tp -127.87 -14.44 5.05 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.487 0.715 . . . . 0.0 109.95 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -135.87 142.78 44.78 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -75.19 168.72 25.01 Favored Pre-proline 0 CA--C 1.564 1.491 0 C-N-CA 123.692 0.797 . . . . 0.0 111.339 -173.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -52.44 -26.03 26.83 Favored 'Trans proline' 0 C--N 1.385 2.481 0 C-N-CA 123.314 2.676 . . . . 0.0 116.217 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.7 mtm -132.82 -87.35 0.44 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 118.929 0.786 . . . . 0.0 112.042 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.1 m -141.61 -40.38 0.38 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.704 0.802 . . . . 0.0 110.307 -169.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 54' ' ' TRP . 58.1 tp -155.7 103.28 2.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.978 171.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -97.04 96.0 8.18 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -51.45 -36.6 44.79 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.475 0.71 . . . . 0.0 111.817 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.44 -41.36 76.4 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 0.0 111.484 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.99 -36.37 72.46 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.949 0.5 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.98 -40.57 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.847 0.859 . . . . 0.0 110.088 175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.1 tp -63.82 -40.9 97.72 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.007 176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -65.51 -52.94 49.05 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.328 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.99 -38.54 91.28 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 124.086 0.866 . . . . 0.0 110.96 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.79 -54.35 47.33 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.206 0.316 . . . . 0.0 110.556 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.74 -36.74 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 124.019 0.928 . . . . 0.0 111.265 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -70.66 -33.25 70.76 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.446 1.498 . . . . 0.0 112.197 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.7 m -87.94 -53.41 4.75 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.087 0.555 . . . . 0.0 111.549 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -83.82 -28.17 28.25 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.911 0.885 . . . . 0.0 111.882 -172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.55 9.93 80.53 Favored Glycine 0 C--N 1.346 1.085 0 CA-C-N 116.335 -0.393 . . . . 0.0 113.277 -175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.38 165.97 24.28 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.598 0.759 . . . . 0.0 110.831 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.4 157.64 67.46 Favored Pre-proline 0 N--CA 1.483 1.2 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.94 -36.1 95.24 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 123.146 2.564 . . . . 0.0 113.574 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.45 -49.9 53.37 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.115 0.259 . . . . 0.0 112.981 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 tp -64.15 -39.79 94.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.994 0.917 . . . . 0.0 110.301 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.45 47.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.356 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -43.61 81.13 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.214 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.41 -50.33 73.33 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 123.861 0.726 . . . . 0.0 111.181 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.9 mt -65.11 -46.54 80.63 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.946 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.77 -30.47 71.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.526 0.73 . . . . 0.0 112.076 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.84 -37.65 88.33 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 121.123 0.487 . . . . 0.0 110.051 173.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.2 -27.33 64.24 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.196 -0.911 . . . . 0.0 113.67 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 42.1 mmtt -97.41 6.86 47.58 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 117.759 0.78 . . . . 0.0 111.442 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.0 t30 62.9 25.56 15.13 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 124.387 1.075 . . . . 0.0 110.311 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' HB2' HD21 ' A' ' 25' ' ' LEU . 91.6 m95 72.9 24.91 2.52 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.587 1.955 . . . . 0.0 112.092 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.6 107.45 6.73 Favored 'General case' 0 C--O 1.243 0.731 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.79 -54.88 32.06 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.621 1.201 . . . . 0.0 111.033 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -62.94 -40.39 97.49 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.962 0.905 . . . . 0.0 112.024 -173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -35.76 80.97 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.265 0.626 . . . . 0.0 111.229 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.33 -39.41 68.2 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.155 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.08 -45.55 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.317 0.647 . . . . 0.0 109.819 176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.1 m -69.4 -34.29 74.29 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.308 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.43 -49.64 62.83 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.605 0.762 . . . . 0.0 110.542 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -64.48 -44.19 91.79 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.97 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.81 -24.88 64.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 122.291 0.236 . . . . 0.0 110.569 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -72.93 -47.47 45.3 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.972 0.509 . . . . 0.0 110.812 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 pp -72.41 -16.95 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.416 0.287 . . . . 0.0 111.162 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -86.16 -28.08 24.17 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.199 0.599 . . . . 0.0 111.313 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.44 -62.39 1.88 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.547 0.739 . . . . 0.0 110.658 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 72' ' ' ALA . 24.4 t 51.59 89.9 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.858 1.263 . . . . 0.0 112.489 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -64.96 -21.99 66.93 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.662 0.785 . . . . 0.0 111.518 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.2 m -71.24 -33.08 69.5 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.054 0.942 . . . . 0.0 111.291 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.584 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -73.94 -68.68 0.49 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.179 0.592 . . . . 0.0 110.031 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -171.96 139.15 1.1 Allowed 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.07 0.948 . . . . 0.0 108.464 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.68 151.98 93.52 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 123.483 0.713 . . . . 0.0 109.752 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.61 140.98 24.42 Favored 'Trans proline' 0 C--N 1.369 1.624 0 C-N-CA 121.909 1.739 . . . . 0.0 111.566 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -81.66 65.15 6.67 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.964 0.888 . . . . 0.0 108.804 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.7 t -135.1 128.21 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -69.17 -52.58 26.53 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.461 0.704 . . . . 0.0 109.849 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 56.65 67.74 0.95 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.006 0.923 . . . . 0.0 110.307 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -89.49 107.95 19.37 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.149 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 161.32 -64.62 0.27 Allowed Glycine 0 C--N 1.337 0.607 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -84.27 107.77 16.76 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.42 0.688 . . . . 0.0 109.292 174.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.636 -1.091 . . . . 0.0 110.784 177.873 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.9 134.65 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.88 1.272 . . . . 0.0 111.281 -171.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.9 107.58 5.36 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.299 0.64 . . . . 0.0 109.882 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -56.87 -33.32 66.74 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.438 1.095 . . . . 0.0 112.415 -173.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 -72.51 -71.72 0.28 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.53 0.732 . . . . 0.0 109.867 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.42 -68.37 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.818 1.247 . . . . 0.0 108.726 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.79 104.76 1.37 Allowed 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -82.62 168.94 16.81 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.063 0.545 . . . . 0.0 110.152 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -135.36 0.21 2.76 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.581 0.752 . . . . 0.0 110.807 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 69.02 109.45 0.05 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.959 1.303 . . . . 0.0 110.363 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 79.29 154.59 0.13 Allowed Pre-proline 0 N--CA 1.491 1.587 0 C-N-CA 125.634 1.574 . . . . 0.0 112.636 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.12 -38.19 92.51 Favored 'Trans proline' 0 C--N 1.391 2.813 0 C-N-CA 123.181 2.587 . . . . 0.0 111.841 171.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.9 ttt 55.79 30.18 15.27 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.061 1.344 . . . . 0.0 111.766 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.7 t -65.77 -33.96 77.07 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.931 0.492 . . . . 0.0 110.305 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.18 130.96 13.2 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 174.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -146.39 124.34 12.03 Favored 'General case' 0 C--O 1.221 -0.415 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -52.79 -42.45 65.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -173.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.27 -40.75 81.78 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.147 0.579 . . . . 0.0 111.116 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.89 67.41 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.32 0.648 . . . . 0.0 111.751 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.8 -35.69 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 124.224 1.01 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.3 tp -62.7 -49.79 73.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.671 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -64.12 -38.57 91.54 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.267 -178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.84 -48.63 68.26 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.679 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.63 -53.69 55.47 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.059 0.849 . . . . 0.0 110.741 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -56.18 -37.13 48.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.767 0.827 . . . . 0.0 111.694 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -71.1 -39.23 72.23 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.707 0.803 . . . . 0.0 111.181 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.8 m -82.72 -26.19 32.21 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.455 0.702 . . . . 0.0 112.297 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -112.51 -35.03 5.67 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.936 0.494 . . . . 0.0 111.844 -172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.28 6.57 74.34 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.862 -172.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.88 49.15 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.301 0.641 . . . . 0.0 110.093 176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.01 157.29 90.15 Favored Pre-proline 0 CA--C 1.556 1.192 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.53 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -56.34 -32.4 88.32 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 123.123 2.549 . . . . 0.0 113.557 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.06 -50.35 34.84 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 116.653 -0.249 . . . . 0.0 112.68 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.14 -42.34 98.37 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.934 0.894 . . . . 0.0 110.146 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.81 53.65 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 113.74 -1.573 . . . . 0.0 110.925 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.97 -38.58 70.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.234 0.959 . . . . 0.0 111.658 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.86 -49.46 68.06 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.494 0.496 . . . . 0.0 110.36 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 69.2 mt -65.27 -40.39 93.85 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.455 0.472 . . . . 0.0 110.083 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.37 -49.33 72.06 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.922 0.889 . . . . 0.0 111.489 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 64.8 mt-10 -64.51 -27.24 68.83 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.386 0.539 . . . . 0.0 111.787 177.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.52 -22.72 78.82 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.908 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 43.1 mmtm -107.91 15.99 23.9 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.619 0.768 . . . . 0.0 112.44 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.46 24.57 14.63 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.238 1.015 . . . . 0.0 111.586 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.426 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 91.8 m95 73.98 15.09 3.86 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.59 1.956 . . . . 0.0 113.145 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -70.44 115.27 9.43 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 168.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 tp -54.84 -50.16 69.32 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.932 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -61.23 -47.89 83.98 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.756 0.823 . . . . 0.0 112.385 -172.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.74 80.01 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.528 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.31 -37.73 63.52 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.556 0.535 . . . . 0.0 111.535 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -49.45 76.66 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.352 0.661 . . . . 0.0 109.917 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -66.07 -31.32 72.12 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.94 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 31.8 t70 -67.66 -49.44 62.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.492 0.717 . . . . 0.0 110.621 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -58.87 -44.77 91.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.96 0.904 . . . . 0.0 111.049 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.37 -21.55 58.22 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.408 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -74.55 -41.24 60.92 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.702 0.801 . . . . 0.0 110.965 178.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.92 -27.96 57.84 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 120.738 0.304 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 -89.47 -3.81 58.22 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.356 0.662 . . . . 0.0 112.624 171.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -67.72 -53.24 29.13 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.024 0.529 . . . . 0.0 109.97 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 71' ' ' THR . 10.8 t 62.56 173.58 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.57 1.739 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.209 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.12 -22.92 11.2 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.221 -0.925 . . . . 0.0 110.643 172.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.652 ' H ' HG12 ' A' ' 69' ' ' VAL . 6.0 m -115.37 10.99 15.97 Favored 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 123.367 0.667 . . . . 0.0 111.505 -176.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.63 84.76 2.0 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.731 -0.605 . . . . 0.0 111.338 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -174.03 145.09 1.05 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.158 0.983 . . . . 0.0 110.163 176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.1 mp -92.61 118.17 67.89 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -65.82 -45.51 6.25 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.496 2.131 . . . . 0.0 110.68 175.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -83.28 107.98 16.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.724 171.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 p -144.05 103.22 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 123.609 0.764 . . . . 0.0 109.624 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.3 t80 57.54 79.67 0.19 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.501 1.12 . . . . 0.0 111.838 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -84.74 124.62 31.74 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.17 -81.38 0.07 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 122.665 0.386 . . . . 0.0 110.662 -175.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.72 0.83 20.72 Favored Glycine 0 CA--C 1.536 1.372 0 CA-C-O 119.576 -0.569 . . . . 0.0 114.121 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 58.07 22.75 9.3 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.911 1.284 . . . . 0.0 111.657 -171.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.353 0 CA-C-O 118.77 -1.017 . . . . 0.0 113.113 -171.852 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.8 p . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 65.22 170.64 0.21 Allowed 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.841 1.256 . . . . 0.0 112.275 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -81.09 -57.63 3.43 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.728 -175.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -146.45 140.28 26.15 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.22 0.608 . . . . 0.0 110.452 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -112.27 147.58 35.97 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.941 0.896 . . . . 0.0 109.171 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.95 -32.87 61.83 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.874 0.47 . . . . 0.0 110.52 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.21 20.97 10.33 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.48 1.112 . . . . 0.0 112.862 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.8 mt -84.39 159.73 20.77 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.328 0.651 . . . . 0.0 110.641 -177.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 mp 69.1 13.08 8.68 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.936 1.295 . . . . 0.0 111.182 -170.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -112.58 -20.53 11.68 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.928 0.891 . . . . 0.0 109.604 173.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -90.11 150.14 42.81 Favored Pre-proline 0 CA--C 1.558 1.282 0 C-N-CA 124.845 1.258 . . . . 0.0 110.353 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -70.43 -31.03 18.29 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.061 2.507 . . . . 0.0 113.733 -176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 45.7 ttm -146.81 -58.21 0.28 Allowed 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.758 0.789 . . . . 0.0 108.923 -173.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 t -158.28 -41.95 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.205 -1.361 . . . . 0.0 107.867 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 tt -172.92 145.95 1.48 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -145.42 112.2 5.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -52.84 -41.61 64.41 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.858 0.863 . . . . 0.0 112.463 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.09 -43.55 86.96 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.643 0.589 . . . . 0.0 110.683 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -41.1 71.32 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.328 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.08 -41.2 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 123.897 0.879 . . . . 0.0 110.62 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -64.25 -51.7 62.32 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.47 0.708 . . . . 0.0 110.259 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -64.63 -41.09 96.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.888 0.742 . . . . 0.0 111.352 -177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.4 -46.42 80.1 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.835 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.09 -53.62 56.05 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.002 0.814 . . . . 0.0 110.691 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.5 -38.94 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 O-C-N 124.17 0.919 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -74.62 -32.76 62.41 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.133 0.973 . . . . 0.0 111.001 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -83.0 -33.01 26.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.829 0.851 . . . . 0.0 112.402 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -108.53 -25.32 10.98 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -169.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.14 14.54 80.35 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 123.44 0.463 . . . . 0.0 113.119 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -77.48 161.28 28.06 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.264 0.626 . . . . 0.0 110.505 176.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.03 157.83 75.58 Favored Pre-proline 0 CA--C 1.56 1.337 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -61.32 -35.03 86.28 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 123.146 2.564 . . . . 0.0 113.371 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.84 -54.44 28.29 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.273 0.358 . . . . 0.0 112.747 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.443 HD23 ' HB1' ' A' ' 40' ' ' ALA . 51.9 tp -55.15 -45.86 75.68 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.64 1.176 . . . . 0.0 111.087 175.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.44 -54.88 41.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.844 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 50' ' ' GLU . 2.3 tmt_? -59.51 -43.22 93.46 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.644 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.79 -48.36 72.8 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.781 0.832 . . . . 0.0 110.928 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 72.7 mt -59.58 -46.88 87.62 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.018 0.824 . . . . 0.0 109.666 177.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.87 -24.34 66.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.194 0.998 . . . . 0.0 112.528 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 9.4 mm-40 -64.48 -36.0 82.78 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.841 0.456 . . . . 0.0 109.871 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.52 -5.33 61.77 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.488 -0.778 . . . . 0.0 113.448 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 71.0 mmtt -107.59 6.14 27.63 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 123.541 0.736 . . . . 0.0 111.897 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 63.14 22.87 13.63 Favored 'General case' 0 CA--C 1.563 1.447 0 C-N-CA 124.039 0.935 . . . . 0.0 110.75 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 62.28 21.98 12.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.387 1.475 . . . . 0.0 112.422 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.75 108.72 7.68 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 168.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -53.19 -51.46 62.01 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.55 1.14 . . . . 0.0 111.111 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -61.96 -36.68 82.17 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.214 1.006 . . . . 0.0 111.758 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.05 -39.18 79.32 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.391 0.676 . . . . 0.0 110.795 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.87 -38.95 69.96 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.192 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.98 -44.46 96.68 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.705 0.628 . . . . 0.0 109.872 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.8 t -64.95 -37.38 87.47 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.26 0.975 . . . . 0.0 110.813 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -66.35 -47.78 72.34 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.591 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -65.79 -48.05 73.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.052 -177.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.04 -25.94 68.04 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.397 0.279 . . . . 0.0 110.613 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.45 -50.16 54.55 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.44 0.696 . . . . 0.0 110.966 173.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -74.75 -29.52 61.17 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -13.38 43.35 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.815 0.446 . . . . 0.0 110.289 -177.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.48 -50.88 71.82 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.233 0.613 . . . . 0.0 109.921 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t 55.24 96.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.272 1.429 . . . . 0.0 110.978 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -64.96 -21.53 66.85 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.101 0.56 . . . . 0.0 112.058 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.8 m -77.01 -35.03 57.4 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.674 0.79 . . . . 0.0 111.004 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.48 -156.7 0.72 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.256 1.022 . . . . 0.0 109.559 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -160.2 125.67 4.01 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.182 0.515 . . . . 0.0 109.658 170.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.07 114.26 63.29 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.2 83.25 0.15 Allowed 'Trans proline' 0 C--N 1.378 2.13 0 C-N-CA 123.373 2.716 . . . . 0.0 112.632 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -138.21 103.3 4.89 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t 60.56 93.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 124.758 1.223 . . . . 0.0 109.486 -169.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.84 -40.55 91.85 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.973 0.909 . . . . 0.0 110.517 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -162.96 147.03 11.24 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.436 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -143.13 -176.96 5.12 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.701 0.8 . . . . 0.0 109.597 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.64 -161.74 33.9 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 57.81 62.4 2.1 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.902 1.281 . . . . 0.0 109.375 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.463 179.288 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.44 -177.64 6.37 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.961 0.904 . . . . 0.0 110.313 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.14 151.39 47.07 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.922 0.489 . . . . 0.0 110.168 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.506 ' H ' ' HG2' ' A' ' 64' ' ' GLU . 62.8 m -118.17 84.46 2.18 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.089 0.556 . . . . 0.0 111.0 -171.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -78.01 100.93 6.67 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 171.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.676 ' HB3' HG23 ' A' ' 57' ' ' THR . . . -76.02 -44.51 39.02 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.298 174.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.63 29.24 18.87 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.565 1.166 . . . . 0.0 111.652 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt 62.8 101.52 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.795 1.238 . . . . 0.0 111.312 -174.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -69.68 -51.4 34.93 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 170.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 59.91 92.48 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.545 1.138 . . . . 0.0 110.852 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -62.04 123.66 78.78 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.224 0.609 . . . . 0.0 109.817 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.91 -27.79 85.7 Favored 'Trans proline' 0 C--N 1.384 2.441 0 C-N-CA 123.304 2.669 . . . . 0.0 113.742 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 59.6 mtm -81.04 -68.64 0.67 Allowed 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -165.92 -59.65 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.774 1.23 . . . . 0.0 107.933 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.6 tp -176.86 157.71 1.52 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.248 1.419 . . . . 0.0 108.122 -176.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -151.24 104.28 3.09 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 172.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -54.09 -37.32 64.12 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.515 0.726 . . . . 0.0 112.367 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.58 -41.13 84.63 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.226 0.61 . . . . 0.0 110.623 -176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.66 75.63 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.246 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.07 -38.08 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.014 0.926 . . . . 0.0 110.769 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.5 tp -65.45 -50.7 64.39 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.814 0.845 . . . . 0.0 109.511 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -64.17 -41.56 97.07 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.866 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -46.93 84.87 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.361 0.664 . . . . 0.0 109.288 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' HA ' HD21 ' A' ' 60' ' ' LEU . 44.7 t80 -56.08 -60.01 4.1 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.999 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.0 t -54.81 -40.08 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 C-N-CA 124.321 1.049 . . . . 0.0 111.851 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -70.66 -31.41 68.32 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.763 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.6 p -93.38 -34.88 13.29 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 75.1 p -88.92 -33.73 17.18 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.44 0.696 . . . . 0.0 112.0 -172.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.22 9.09 86.48 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.841 -171.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.53 146.42 34.32 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.513 0.725 . . . . 0.0 109.128 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -69.07 156.81 90.8 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -57.0 -31.18 89.24 Favored 'Trans proline' 0 N--CA 1.501 1.948 0 C-N-CA 123.01 2.473 . . . . 0.0 113.51 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.73 -44.7 79.94 Favored Glycine 0 C--N 1.351 1.376 0 O-C-N 123.107 0.254 . . . . 0.0 113.093 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.65 -39.75 80.54 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.83 0.852 . . . . 0.0 109.893 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.47 67.67 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -58.07 -45.88 86.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.245 0.966 . . . . 0.0 110.378 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -53.12 -49.51 66.38 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.722 0.809 . . . . 0.0 111.376 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 93.8 mt -65.29 -48.2 73.95 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.211 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.75 -24.36 66.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.848 0.859 . . . . 0.0 112.097 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.64 -40.64 69.6 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.95 -15.73 80.8 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-N 115.365 -0.834 . . . . 0.0 113.79 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -110.93 12.64 22.19 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-N 117.505 0.653 . . . . 0.0 111.739 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 64.73 23.0 12.68 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.176 0.99 . . . . 0.0 111.495 175.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.2 m95 64.83 19.22 11.78 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.626 1.57 . . . . 0.0 112.034 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.76 96.98 2.12 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 167.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.8 tp -49.22 -49.81 41.29 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 124.867 1.354 . . . . 0.0 111.454 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.676 HG23 ' HB3' ' A' ' 16' ' ' ALA . 25.4 m -61.19 -41.41 96.77 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.857 0.863 . . . . 0.0 111.66 -176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.22 91.55 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.458 0.703 . . . . 0.0 110.955 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.407 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -73.61 -42.69 61.16 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.41 0.684 . . . . 0.0 111.813 -177.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 34' ' ' PHE . 85.1 mt -61.04 -49.07 78.88 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.735 0.814 . . . . 0.0 110.146 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.2 t -71.2 -26.03 62.77 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 124.272 0.983 . . . . 0.0 111.101 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.3 -44.11 63.22 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 84.1 t80 -63.28 -51.64 65.28 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 124.421 1.076 . . . . 0.0 110.914 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' HG2' ' H ' ' A' ' 14' ' ' CYS . 2.1 pp20? -68.1 -32.67 73.14 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.407 -177.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.59 -45.08 84.61 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.634 0.584 . . . . 0.0 111.441 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -70.05 -19.29 63.29 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.009 0.193 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -85.2 -36.8 20.76 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 29.4 mm-40 -65.55 -48.01 73.9 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.992 0.517 . . . . 0.0 109.831 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.1 t 63.26 113.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 O-C-N 124.71 1.256 . . . . 0.0 111.106 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -64.96 -25.63 67.96 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.654 0.382 . . . . 0.0 111.779 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.7 m -73.93 -20.62 60.32 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.202 1.001 . . . . 0.0 110.789 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.77 169.1 18.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.332 0.653 . . . . 0.0 110.874 175.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -87.08 89.83 8.14 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 121.434 0.635 . . . . 0.0 110.129 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.96 138.77 82.33 Favored Pre-proline 0 CA--C 1.55 0.944 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.58 -48.78 19.52 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.122 2.548 . . . . 0.0 112.237 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -148.15 161.27 41.78 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.427 1.091 . . . . 0.0 109.411 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.68 139.23 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -72.4 -62.39 1.46 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -161.45 156.72 24.0 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.96 0.504 . . . . 0.0 110.173 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.54 163.89 31.34 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.404 1.082 . . . . 0.0 108.766 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.37 81.15 0.72 Allowed Glycine 0 C--N 1.348 1.222 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 171.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -74.5 154.89 38.48 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.126 0.971 . . . . 0.0 111.297 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 CA-C-O 119.313 -0.715 . . . . 0.0 111.557 177.269 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.886 0.374 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.59 -73.85 0.51 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.109 0.964 . . . . 0.0 108.484 174.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 49.63 76.36 0.14 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.754 1.222 . . . . 0.0 111.3 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.0 p -67.82 93.93 0.43 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.325 0.65 . . . . 0.0 111.098 -170.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 76.8 m95 64.69 -167.98 0.21 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.748 1.219 . . . . 0.0 112.003 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.84 87.76 2.77 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.75 162.65 5.07 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.127 0.971 . . . . 0.0 112.491 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.0 mt -57.02 113.57 1.75 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.132 0.973 . . . . 0.0 111.583 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.8 tp -73.43 -25.15 60.39 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.148 0.979 . . . . 0.0 110.775 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -72.48 163.43 28.03 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.159 0.584 . . . . 0.0 110.722 173.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t0 71.4 93.41 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.549 1.54 . . . . 0.0 110.924 174.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -81.39 -10.62 12.15 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.782 2.321 . . . . 0.0 113.073 170.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.7 ttp -75.72 -25.82 56.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.053 0.941 . . . . 0.0 111.777 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 t -67.0 -17.29 64.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.374 0.67 . . . . 0.0 112.086 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 54' ' ' TRP . 6.8 tt -69.62 107.62 3.51 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 173.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -105.82 118.97 37.96 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 174.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -44.64 67.02 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.819 0.848 . . . . 0.0 112.541 -176.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.23 -39.34 92.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.47 0.708 . . . . 0.0 111.013 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.39 -43.62 69.69 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.2 0.6 . . . . 0.0 111.289 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 56' ' ' LEU . 67.0 t -67.1 -36.56 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.735 0.814 . . . . 0.0 110.131 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.82 -45.09 87.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.811 0.844 . . . . 0.0 109.987 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 t -67.97 -43.18 79.59 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.747 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -38.33 84.56 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.948 0.899 . . . . 0.0 111.31 178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -62.15 -59.3 5.26 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.617 0.573 . . . . 0.0 109.457 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.87 -40.58 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 124.118 0.967 . . . . 0.0 111.785 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttp-105 -65.93 -43.01 89.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.629 0.772 . . . . 0.0 111.008 -178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -80.54 -35.97 33.74 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.33 0.652 . . . . 0.0 111.853 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.3 p -94.58 -25.56 16.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.762 0.825 . . . . 0.0 111.72 -173.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.03 23.81 75.3 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.081 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.89 173.16 12.81 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.56 0.744 . . . . 0.0 111.641 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -92.3 155.85 42.23 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -60.8 -34.94 90.84 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.419 2.746 . . . . 0.0 113.188 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.79 -50.86 33.07 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 123.288 0.367 . . . . 0.0 112.499 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.7 -43.8 93.93 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.221 1.008 . . . . 0.0 110.731 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.96 39.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.247 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -42.72 81.22 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.449 1.1 . . . . 0.0 111.092 178.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.61 -52.13 66.97 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.134 0.973 . . . . 0.0 110.864 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 86.5 mt -64.3 -42.83 96.16 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.31 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.85 -48.81 80.05 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.292 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -56.19 -38.85 71.51 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 123.382 0.673 . . . . 0.0 112.285 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.52 -20.67 72.0 Favored Glycine 0 CA--C 1.535 1.286 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.387 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 65.7 mmtt -106.95 13.75 27.28 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.907 0.883 . . . . 0.0 111.424 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 t30 63.9 37.57 9.45 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 122.528 1.156 . . . . 0.0 109.817 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.412 ' HB3' HD21 ' A' ' 25' ' ' LEU . 76.9 m95 55.6 23.02 5.68 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 125.99 1.716 . . . . 0.0 113.468 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.91 115.31 17.55 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.0 tp -55.3 -47.44 75.56 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 124.38 1.05 . . . . 0.0 111.31 -177.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.6 m -64.37 -46.08 84.93 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.177 0.991 . . . . 0.0 112.077 -168.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.33 72.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.869 0.867 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.77 -38.14 64.77 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.521 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 96.1 mt -61.33 -46.37 90.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.451 0.7 . . . . 0.0 109.702 176.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m -62.7 -35.66 80.44 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.379 -1.282 . . . . 0.0 111.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.4 -37.55 63.35 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.411 0.685 . . . . 0.0 110.817 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 62.8 t80 -67.44 -49.52 63.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.85 -27.05 68.6 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 122.706 0.403 . . . . 0.0 110.57 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.26 -58.03 9.96 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.98 0.912 . . . . 0.0 110.359 171.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 pp -73.56 -15.59 61.28 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.035 0.534 . . . . 0.0 111.359 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -80.17 -36.64 34.77 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.756 0.822 . . . . 0.0 110.003 177.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -52.56 -66.96 0.29 Allowed 'General case' 0 C--N 1.36 1.055 0 O-C-N 125.063 1.477 . . . . 0.0 111.479 -166.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' HB ' ' HB2' ' A' ' 72' ' ' ALA . 12.2 t 48.84 52.44 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 C-N-CA 124.657 1.183 . . . . 0.0 110.919 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m80 58.64 37.22 25.29 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 124.312 1.045 . . . . 0.0 111.699 -176.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.56 ' HB ' HD23 ' A' ' 74' ' ' LEU . 6.0 m 56.2 71.92 0.53 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.109 1.364 . . . . 0.0 110.457 -172.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -62.91 112.71 2.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.492 -1.231 . . . . 0.0 109.324 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 68.18 92.88 0.08 Allowed 'General case' 0 C--N 1.353 0.756 0 O-C-N 125.454 1.721 . . . . 0.0 109.674 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD23 ' HB ' ' A' ' 71' ' ' THR . 1.2 pp -115.82 141.69 27.91 Favored Pre-proline 0 N--CA 1.482 1.134 0 C-N-CA 123.591 0.756 . . . . 0.0 109.928 172.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -62.52 -46.44 11.79 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 122.627 2.218 . . . . 0.0 111.698 170.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -141.1 161.04 38.81 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.444 1.098 . . . . 0.0 108.992 174.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.11 146.65 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 122.263 0.225 . . . . 0.0 110.439 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -130.74 119.76 22.81 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -167.66 90.03 0.32 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.317 1.047 . . . . 0.0 108.236 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -110.69 -11.88 14.37 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.095 0.958 . . . . 0.0 111.067 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 151.38 -49.55 0.54 Allowed Glycine 0 C--N 1.345 1.046 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -57.27 3.84 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 177.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 CA-C-O 118.822 -0.988 . . . . 0.0 112.734 177.656 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.511 ' HA ' ' SD ' ' A' ' 27' ' ' MET . 57.2 p . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.96 168.99 18.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.638 0.775 . . . . 0.0 111.191 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.68 106.57 5.49 Favored 'General case' 0 CA--C 1.557 1.235 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.369 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' ASP . 60.3 m -140.67 106.28 5.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.16 0.584 . . . . 0.0 110.306 -173.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -72.91 140.17 47.32 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.357 0.663 . . . . 0.0 110.095 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.97 -70.98 0.75 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.244 0.618 . . . . 0.0 110.159 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' H ' ' H ' ' A' ' 18' ' ' LEU . . . -162.26 -10.73 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -173.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' H ' ' H ' ' A' ' 17' ' ' ALA . 6.2 mp 65.5 113.61 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.626 1.17 . . . . 0.0 110.325 -176.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.0 mt 76.07 -49.54 0.6 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.891 1.676 . . . . 0.0 111.67 -176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -68.83 100.94 1.25 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.417 0.687 . . . . 0.0 109.309 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.1 115.15 61.66 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 123.493 0.717 . . . . 0.0 110.035 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.89 -1.04 7.24 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.995 2.464 . . . . 0.0 113.476 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.0 mmm -105.75 -87.25 0.46 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.772 0.429 . . . . 0.0 110.135 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 t -173.24 -49.02 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -130.0 101.41 5.82 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 161.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -97.13 110.43 22.98 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 11' ' ' SER . 61.1 mtt -62.6 -21.98 66.04 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.086 0.954 . . . . 0.0 113.457 -171.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 8.7 t70 -69.74 -52.99 20.58 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.13 73.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.638 0.775 . . . . 0.0 112.482 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -73.65 -39.79 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.739 0.816 . . . . 0.0 109.937 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.96 -51.64 63.4 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -50.4 -49.29 54.97 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.548 1.539 . . . . 0.0 112.223 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.1 -48.6 51.37 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.867 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.59 -50.2 73.91 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.766 0.666 . . . . 0.0 110.751 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.1 -47.13 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 123.603 0.761 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -73.9 -29.44 62.07 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.066 -178.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -77.5 -54.63 6.19 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.316 0.646 . . . . 0.0 110.786 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.489 ' HB ' ' CD2' ' A' ' 63' ' ' TYR . 70.9 p -85.67 -30.17 23.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -175.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.88 13.53 60.7 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.556 -174.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 144.92 30.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.421 0.688 . . . . 0.0 110.03 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -71.35 157.85 89.21 Favored Pre-proline 0 N--CA 1.483 1.205 0 CA-C-O 118.478 -0.772 . . . . 0.0 108.964 -175.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -59.63 -32.21 95.58 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 123.2 2.6 . . . . 0.0 113.531 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.48 -52.49 30.33 Favored Glycine 0 C--N 1.346 1.121 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.32 -33.69 76.06 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.033 0.933 . . . . 0.0 110.536 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.81 -56.68 9.35 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.699 -177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.37 -39.42 67.17 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.432 1.083 . . . . 0.0 110.658 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 -49.07 77.34 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.632 0.773 . . . . 0.0 111.402 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.44 -35.29 70.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.125 0.57 . . . . 0.0 110.791 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.9 mt -63.73 -52.25 61.32 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.734 0.814 . . . . 0.0 110.143 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -63.96 -24.19 67.63 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.904 0.481 . . . . 0.0 111.658 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.11 -27.15 74.1 Favored Glycine 0 C--N 1.35 1.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.895 172.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 46.4 mmtm -105.93 13.63 29.12 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.361 1.064 . . . . 0.0 112.414 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.8 t30 67.7 36.38 3.64 Favored 'General case' 0 N--CA 1.5 2.075 0 C-N-CA 124.252 1.021 . . . . 0.0 110.318 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.474 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 75.7 m95 60.22 14.59 4.67 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.231 1.812 . . . . 0.0 113.958 -174.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.96 110.95 6.8 Favored 'General case' 0 C--O 1.245 0.825 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 tp -52.9 -49.75 65.29 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 m -60.14 -48.6 81.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.161 0.985 . . . . 0.0 111.939 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.1 72.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.135 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.85 -43.79 67.75 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.336 0.398 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.55 -52.82 63.83 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.718 0.807 . . . . 0.0 109.071 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.1 t -56.48 -42.17 77.82 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 124.898 1.374 . . . . 0.0 111.129 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 16.3 t70 -61.5 -57.55 11.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.195 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.489 ' CD2' ' HB ' ' A' ' 38' ' ' THR . 58.6 t80 -61.58 -46.53 89.49 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.753 0.658 . . . . 0.0 110.701 -176.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -69.31 -19.26 63.88 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.384 0.427 . . . . 0.0 111.291 -175.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.31 -53.86 7.17 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.46 0.704 . . . . 0.0 109.736 173.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.74 -26.15 63.25 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -172.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -73.16 -22.16 60.55 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.376 0.271 . . . . 0.0 111.104 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -67.51 -43.41 80.92 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.379 0.672 . . . . 0.0 110.69 175.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t 72.98 -11.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.394 0 C-N-CA 125.124 1.37 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -71.63 79.88 0.82 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 124.148 0.979 . . . . 0.0 109.735 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t 175.01 -55.74 0.01 OUTLIER 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.42 1.888 . . . . 0.0 106.629 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 43.56 27.1 0.14 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.62 1.568 . . . . 0.0 113.144 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -115.96 83.15 1.89 Allowed 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.034 0.934 . . . . 0.0 108.814 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -166.53 159.48 11.82 Favored Pre-proline 0 CA--C 1.546 0.796 0 CA-C-N 113.916 -1.493 . . . . 0.0 107.582 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -60.45 112.7 1.4 Allowed 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 122.071 1.847 . . . . 0.0 111.354 176.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -84.89 46.42 1.26 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.748 0.819 . . . . 0.0 111.508 -175.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.9 p -60.65 134.37 26.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.963 0.905 . . . . 0.0 109.701 171.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -61.27 -53.23 59.48 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.7 t30 65.76 156.02 0.09 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.211 1.404 . . . . 0.0 112.824 170.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.49 121.82 19.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.544 0.738 . . . . 0.0 110.465 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -160.04 -105.06 0.2 Allowed Glycine 0 C--N 1.338 0.694 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.28 109.78 19.19 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 177.758 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.243 0.756 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.62 101.87 3.14 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.947 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -157.32 163.82 38.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.149 0.58 . . . . 0.0 110.928 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.02 -49.01 0.09 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.708 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 73.1 m95 65.05 173.29 0.21 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.697 1.599 . . . . 0.0 111.861 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.76 -62.23 0.17 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.138 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.68 27.43 15.85 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.936 0.895 . . . . 0.0 111.566 -175.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.88 117.28 28.59 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.78 0.832 . . . . 0.0 110.252 -174.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -122.03 109.45 14.59 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 108.191 -1.041 . . . . 0.0 108.191 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -65.33 -41.01 94.41 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.364 0.666 . . . . 0.0 110.515 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -96.44 153.33 38.93 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 124.791 1.237 . . . . 0.0 109.712 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -76.95 -10.69 18.12 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 123.016 2.477 . . . . 0.0 114.122 -173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ttt -166.47 -59.12 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.5 0.72 . . . . 0.0 109.733 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.5 m -147.59 -65.1 0.26 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 54' ' ' TRP . 7.3 tt -173.49 125.42 0.4 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -111.89 102.43 10.68 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -53.19 -37.5 62.0 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.262 1.025 . . . . 0.0 112.577 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.55 -44.82 77.34 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.146 0.579 . . . . 0.0 110.986 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.68 82.06 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.455 . . . . 0.0 111.085 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.1 -38.28 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.463 1.105 . . . . 0.0 110.701 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -66.62 -50.56 62.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.099 0.56 . . . . 0.0 109.573 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -60.7 -41.01 94.35 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.819 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.89 -45.53 74.18 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.584 0.754 . . . . 0.0 110.066 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.32 -55.85 29.66 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.798 0.686 . . . . 0.0 109.937 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -56.09 -39.26 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 124.05 0.94 . . . . 0.0 111.473 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -74.13 -33.39 63.53 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.652 0.781 . . . . 0.0 111.019 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.7 m -78.55 -52.82 7.93 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.478 0.711 . . . . 0.0 110.848 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.4 p -82.53 -35.55 27.16 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.785 0.834 . . . . 0.0 111.277 -172.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.4 5.03 76.26 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.575 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.509 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -75.65 161.92 28.69 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.818 0.847 . . . . 0.0 111.079 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.15 157.16 85.43 Favored Pre-proline 0 N--CA 1.487 1.423 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.847 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.01 -29.8 66.43 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 123.003 2.469 . . . . 0.0 113.814 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.66 47.89 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD23 ' HB1' ' A' ' 40' ' ' ALA . 62.2 tp -63.7 -41.12 98.15 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.195 0.998 . . . . 0.0 109.82 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -54.55 45.16 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -57.97 -39.49 78.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.533 1.133 . . . . 0.0 111.565 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.94 -47.19 86.02 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.679 0.791 . . . . 0.0 110.864 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 77.9 mt -69.63 -43.05 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.236 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.19 -56.68 17.96 Favored 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 123.879 0.872 . . . . 0.0 110.315 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 87.3 mt-10 -59.68 -29.97 68.45 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 123.368 0.667 . . . . 0.0 112.193 178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.65 92.3 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.638 172.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 66.0 mmtt -99.81 16.32 24.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.28 1.032 . . . . 0.0 111.965 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t30 63.56 44.18 5.38 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 124.145 0.978 . . . . 0.0 110.405 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.452 ' HB3' HD21 ' A' ' 25' ' ' LEU . 92.4 m95 53.22 20.5 1.87 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 125.966 1.706 . . . . 0.0 114.459 -174.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.39 102.85 3.86 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -49.9 -50.84 44.63 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.778 1.299 . . . . 0.0 111.279 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -63.11 -42.75 99.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.887 0.875 . . . . 0.0 111.732 -174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.3 74.74 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.56 0.744 . . . . 0.0 111.513 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.24 -37.85 66.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.475 0.484 . . . . 0.0 111.002 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.69 -47.05 87.06 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.481 0.712 . . . . 0.0 109.489 173.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.3 m -63.27 -34.09 76.91 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 124.53 1.144 . . . . 0.0 111.061 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.18 -52.15 37.63 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.604 0.762 . . . . 0.0 110.469 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.26 -48.14 81.39 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.046 0.938 . . . . 0.0 111.114 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 11.4 pt-20 -66.72 -41.41 87.97 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.61 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.97 -46.82 85.92 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 123.385 0.674 . . . . 0.0 111.413 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.55 -29.49 68.89 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.361 0.413 . . . . 0.0 110.117 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -84.84 -3.89 58.85 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 26.4 mm-40 -71.74 -62.33 1.46 Allowed 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 118.94 0.791 . . . . 0.0 109.434 174.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.2 t 57.2 52.73 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.385 1.074 . . . . 0.0 110.03 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -82.26 -46.19 14.0 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.7 m -87.89 -35.43 17.73 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.516 0.726 . . . . 0.0 110.191 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 67.56 7.91 5.96 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 125.061 1.345 . . . . 0.0 112.569 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -116.09 109.23 17.21 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.515 1.126 . . . . 0.0 108.845 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -146.99 135.16 10.75 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 123.855 0.862 . . . . 0.0 108.968 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.42 101.52 0.87 Allowed 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.894 2.396 . . . . 0.0 112.366 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -94.87 157.69 15.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.282 0.633 . . . . 0.0 109.917 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.97 159.6 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.278 175.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -87.18 26.16 1.24 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.718 0.807 . . . . 0.0 110.511 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.0 t30 67.61 175.04 0.26 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.806 1.242 . . . . 0.0 109.107 -165.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -66.11 138.68 57.9 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 167.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.79 154.45 51.17 Favored Glycine 0 C--N 1.347 1.168 0 O-C-N 123.37 0.418 . . . . 0.0 112.415 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.0 103.37 0.93 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.789 0.436 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.096 0 CA-C-O 118.781 -1.011 . . . . 0.0 111.085 -175.569 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.87 135.33 33.7 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.62 0.768 . . . . 0.0 110.6 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -155.95 -46.68 0.08 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.73 1.212 . . . . 0.0 108.64 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m 58.51 93.4 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.487 1.515 . . . . 0.0 113.423 167.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -92.6 77.8 4.94 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 173.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.99 85.01 0.52 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.242 0.617 . . . . 0.0 109.401 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.89 97.01 3.32 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.869 0.467 . . . . 0.0 109.964 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt -136.07 73.44 1.46 Allowed 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 171.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -109.12 124.36 50.68 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 70.77 155.0 0.14 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.227 1.411 . . . . 0.0 110.053 -170.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.98 119.16 73.78 Favored Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 122.818 0.447 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.53 -12.82 11.15 Favored 'Trans proline' 0 CA--C 1.555 1.559 0 C-N-CA 122.061 1.84 . . . . 0.0 110.827 164.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.8 ttt -173.46 130.86 0.45 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.135 1.774 . . . . 0.0 106.563 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -56.42 -46.1 80.4 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.408 0.683 . . . . 0.0 111.047 -173.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 54' ' ' TRP . 7.4 tt -124.65 102.83 7.79 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 167.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.5 t70 -91.66 98.97 11.96 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 mtt -54.79 -34.52 62.77 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.897 0.879 . . . . 0.0 112.734 -174.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -65.31 -46.47 80.22 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.822 0.449 . . . . 0.0 110.347 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -33.92 74.57 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.156 0.582 . . . . 0.0 111.673 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' ASP . 96.4 t -69.9 -45.35 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 C-N-CA 123.516 0.726 . . . . 0.0 110.465 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.14 -47.82 69.9 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.448 0.699 . . . . 0.0 110.661 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.4 t -62.54 -45.51 92.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.689 0.796 . . . . 0.0 111.544 -177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -63.46 -46.13 87.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.131 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.38 -57.96 10.6 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.968 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -53.52 -41.37 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 124.454 1.102 . . . . 0.0 111.452 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -67.01 -39.02 86.98 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.349 -1.296 . . . . 0.0 112.047 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.6 m -87.59 -42.42 12.73 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.085 0.554 . . . . 0.0 112.19 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -87.86 -28.83 21.35 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.613 0.765 . . . . 0.0 111.857 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.04 13.98 76.06 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.938 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.6 154.28 28.84 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.472 0.709 . . . . 0.0 110.548 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.94 159.14 83.61 Favored Pre-proline 0 CA--C 1.557 1.223 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -57.35 -35.05 98.86 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 123.058 2.505 . . . . 0.0 113.522 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.83 -48.65 26.7 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.403 -0.362 . . . . 0.0 113.022 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.25 -43.15 99.49 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.931 0.892 . . . . 0.0 110.157 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.91 14.93 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.982 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.96 -42.27 68.74 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.53 177.087 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.34 -48.33 80.27 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 123.892 0.745 . . . . 0.0 111.16 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -66.78 -34.19 77.27 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 122.85 0.46 . . . . 0.0 110.207 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.33 -42.46 96.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.519 175.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 55.3 mt-10 -60.56 -33.7 73.08 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 122.649 0.379 . . . . 0.0 111.32 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.88 -23.57 75.81 Favored Glycine 0 C--N 1.349 1.25 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.515 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 41.1 mmtm -109.24 9.14 25.98 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.512 0.725 . . . . 0.0 112.504 -178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 58.43 40.19 24.4 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 123.016 1.388 . . . . 0.0 110.239 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' HB3' HD21 ' A' ' 25' ' ' LEU . 64.0 m95 60.37 30.85 20.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.931 2.092 . . . . 0.0 113.461 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.46 118.1 19.57 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.3 tp -61.21 -58.29 8.93 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.903 . . . . 0.0 110.861 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -62.84 -40.1 96.4 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.741 0.816 . . . . 0.0 112.316 -171.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.69 83.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.587 0.755 . . . . 0.0 111.237 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.2 63.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.67 -43.18 94.09 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.092 0.557 . . . . 0.0 109.589 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.8 m -70.53 -29.4 65.88 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.326 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.596 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.8 t70 -69.8 -50.26 44.75 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.624 0.77 . . . . 0.0 110.816 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -61.06 -49.49 77.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.8 0.84 . . . . 0.0 110.926 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 12.6 pt-20 -66.4 -25.13 66.62 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.798 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -71.34 -51.47 24.08 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.101 0.56 . . . . 0.0 111.015 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.92 -25.01 66.15 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.017 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -76.47 -44.64 34.61 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.342 0.657 . . . . 0.0 111.067 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 5.4 tp60 -54.1 -62.41 1.67 Allowed 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.103 0.961 . . . . 0.0 111.441 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG13 ' HB2' ' A' ' 72' ' ' ALA . 97.5 t 61.93 -72.72 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 O-C-N 124.993 1.433 . . . . 0.0 111.157 -176.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 77.22 -54.84 0.55 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.959 1.704 . . . . 0.0 111.86 174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.6 m -131.13 -51.78 1.03 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.138 0.575 . . . . 0.0 111.062 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.446 ' HB2' HG13 ' A' ' 69' ' ' VAL . . . 62.79 -81.03 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.786 1.235 . . . . 0.0 111.206 -170.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -151.91 9.43 0.52 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.469 0.708 . . . . 0.0 111.059 -176.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 3.9 pp -151.41 145.11 17.61 Favored Pre-proline 0 N--CA 1.482 1.156 0 C-N-CA 122.856 0.462 . . . . 0.0 111.454 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 13.9 Cg_exo -71.09 134.56 25.44 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 123.263 2.642 . . . . 0.0 112.369 177.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -169.11 19.1 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.225 1.01 . . . . 0.0 110.611 177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.08 159.92 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.337 0.655 . . . . 0.0 109.24 -175.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -84.25 -90.76 0.09 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.727 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -166.22 107.03 0.69 Allowed 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.149 0.5 . . . . 0.0 111.612 -173.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -105.97 124.15 49.12 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.322 1.049 . . . . 0.0 109.062 173.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.9 -41.79 6.59 Favored Glycine 0 C--N 1.342 0.916 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 175.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.13 -68.26 0.2 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.442 0 CA-C-O 118.804 -0.998 . . . . 0.0 111.847 -175.314 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 62.47 17.87 9.89 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.533 1.133 . . . . 0.0 111.927 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.5 117.08 30.69 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.078 1.351 . . . . 0.0 109.444 -174.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.6 t -163.05 -163.34 0.84 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -177.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -68.77 87.7 0.35 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.464 0.649 . . . . 0.0 110.22 173.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.77 28.27 4.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.655 1.182 . . . . 0.0 108.698 173.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.14 -175.49 5.34 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.251 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -87.46 40.39 0.92 Allowed 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.763 0.825 . . . . 0.0 110.061 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.4 tp -80.99 96.9 7.25 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.553 0.741 . . . . 0.0 109.027 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -87.39 88.47 7.69 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.104 0.561 . . . . 0.0 109.531 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.85 140.27 93.87 Favored Pre-proline 0 CA--C 1.55 0.97 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.162 171.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -35.72 -52.84 0.91 Allowed 'Trans proline' 0 C--N 1.394 2.928 0 C-N-CA 124.983 3.789 . . . . 0.0 114.721 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.3 mtt -136.47 -72.21 0.45 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.674 0.389 . . . . 0.0 110.642 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.0 m 73.52 -56.36 0.65 Allowed 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 125.319 1.448 . . . . 0.0 111.351 -171.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 54' ' ' TRP . 6.3 tt -58.43 119.58 7.23 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.014 1.725 . . . . 0.0 111.311 -177.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.1 t70 -111.22 121.35 45.06 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.3 -45.8 72.62 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.822 0.849 . . . . 0.0 112.415 -175.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.58 -34.2 71.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.527 0.731 . . . . 0.0 110.741 -176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.57 70.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.171 0.588 . . . . 0.0 111.308 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ASP . 59.3 t -68.69 -41.02 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.183 0.593 . . . . 0.0 109.957 178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -64.64 -44.46 90.4 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.063 0.945 . . . . 0.0 110.329 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.1 t -65.83 -47.12 76.07 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.748 0.655 . . . . 0.0 110.352 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.16 -40.83 98.68 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.158 0.911 . . . . 0.0 110.593 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' HZ ' ' HB2' ' A' ' 63' ' ' TYR . 86.3 t80 -63.19 -51.92 64.41 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 123.923 0.764 . . . . 0.0 110.693 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 40' ' ' ALA . 71.3 t -64.07 -30.96 51.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 C-N-CA 123.326 0.65 . . . . 0.0 110.807 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -73.94 -30.02 62.32 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.488 1.115 . . . . 0.0 111.389 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.2 p -91.82 -59.11 2.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.219 0.608 . . . . 0.0 111.176 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -76.73 -26.31 54.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.829 0.851 . . . . 0.0 112.281 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.2 21.74 69.73 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.413 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 35' ' ' VAL . . . -70.42 169.9 13.05 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.007 0.923 . . . . 0.0 111.606 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 5.4 pt-20 -85.53 156.31 59.15 Favored Pre-proline 0 CA--C 1.563 1.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 175.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -59.25 -39.8 74.7 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 123.138 2.559 . . . . 0.0 113.683 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.97 -48.7 38.97 Favored Glycine 0 C--N 1.348 1.224 0 O-C-N 123.511 0.507 . . . . 0.0 113.376 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 58.7 tp -58.03 -45.71 86.52 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.121 0.968 . . . . 0.0 110.19 175.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -55.42 32.93 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.095 0.958 . . . . 0.0 111.636 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -57.92 -37.35 73.91 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.368 1.067 . . . . 0.0 111.356 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.47 -44.17 97.04 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.875 0.87 . . . . 0.0 110.589 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 14.0 mt -71.01 -39.45 72.38 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.67 -45.75 88.7 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.206 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -66.42 -25.22 66.65 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 118.438 0.563 . . . . 0.0 111.089 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.48 3.73 86.29 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-O 119.818 -0.434 . . . . 0.0 113.316 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.669 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 40.9 mmtm -132.4 13.02 4.58 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.177 0.991 . . . . 0.0 112.082 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 t30 64.9 24.72 12.74 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 122.262 1.03 . . . . 0.0 110.564 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' HB3' HD21 ' A' ' 25' ' ' LEU . 79.5 m95 67.87 24.38 8.12 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.904 2.082 . . . . 0.0 111.448 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -79.88 112.84 17.56 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.423 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 62.3 tp -54.44 -49.67 69.47 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.645 1.216 . . . . 0.0 111.623 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 m -62.22 -40.96 97.86 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 124.318 1.047 . . . . 0.0 111.709 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 52' ' ' LYS . . . -74.11 -31.8 62.93 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.341 1.056 . . . . 0.0 110.881 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.6 69.23 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 94.1 mt -61.04 -45.63 94.0 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.804 0.841 . . . . 0.0 109.281 174.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 m -62.72 -38.63 91.26 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.227 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.669 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 26.4 t70 -67.8 -42.51 81.46 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.861 0.864 . . . . 0.0 110.842 -178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.475 ' HB2' ' HZ ' ' A' ' 34' ' ' PHE . 78.7 t80 -65.48 -52.76 50.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.255 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.48 -22.86 66.57 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.768 0.667 . . . . 0.0 110.935 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -76.04 -47.06 26.18 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 124.026 0.829 . . . . 0.0 111.194 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 pp -75.6 -24.61 56.56 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -15.17 41.01 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.131 0.573 . . . . 0.0 110.048 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.19 -16.32 61.72 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.401 1.081 . . . . 0.0 111.088 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.835 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 14.1 m -60.01 78.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.433 0 CA-C-O 122.516 1.151 . . . . 0.0 112.467 177.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -77.57 -22.25 51.24 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.567 1.147 . . . . 0.0 110.192 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.7 m -93.73 -20.73 19.85 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.225 1.01 . . . . 0.0 110.783 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.835 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . . . -106.68 -146.74 0.4 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.747 0.819 . . . . 0.0 109.244 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -72.22 84.89 1.05 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.464 0.575 . . . . 0.0 110.275 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 74' ' ' LEU . 2.5 pt? -80.21 143.95 57.44 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 123.673 0.789 . . . . 0.0 109.989 175.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.59 136.88 78.43 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.343 2.695 . . . . 0.0 113.005 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -78.52 148.79 33.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.793 0.437 . . . . 0.0 110.702 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.55 134.25 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.729 0.812 . . . . 0.0 110.505 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -99.59 110.22 22.67 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.526 0.731 . . . . 0.0 109.668 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -69.25 157.98 35.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.441 0.697 . . . . 0.0 111.576 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -112.82 121.69 45.44 Favored 'General case' 0 C--O 1.243 0.727 0 C-N-CA 124.169 0.988 . . . . 0.0 108.748 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.39 -53.98 41.44 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 123.821 0.7 . . . . 0.0 111.517 174.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -90.23 86.05 6.41 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.966 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 178.323 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.578 0.228 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.88 -72.83 0.63 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.801 0.84 . . . . 0.0 109.629 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 50.55 102.48 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.662 1.585 . . . . 0.0 111.948 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.4 m -69.05 76.36 0.33 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.289 0.636 . . . . 0.0 111.273 -176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 55.45 -166.73 0.1 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.363 1.465 . . . . 0.0 112.921 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.24 -53.21 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -171.36 121.92 0.53 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.874 1.27 . . . . 0.0 107.956 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 tp -67.85 96.07 0.56 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.9 tp -160.93 91.33 0.88 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.207 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -105.81 21.35 17.42 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.201 1.0 . . . . 0.0 108.336 173.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.12 81.21 51.52 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.1 0.96 . . . . 0.0 109.75 -168.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.42 ' HG3' ' HB2' ' A' ' 26' ' ' ASP . 80.0 Cg_endo -76.79 -33.53 2.87 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.364 2.042 . . . . 0.0 111.323 170.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 48.0 mtm -140.62 -63.35 0.48 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.6 m -150.72 -47.49 0.12 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.317 1.047 . . . . 0.0 108.794 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tt -145.86 150.9 37.0 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.17 0.988 . . . . 0.0 108.497 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' HB2' ' HG3' ' A' ' 22' ' ' PRO . 22.6 t70 -138.63 125.71 21.35 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 67.2 mtt -59.21 -42.44 90.98 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.885 0.874 . . . . 0.0 112.271 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.18 -42.97 79.18 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.847 0.459 . . . . 0.0 110.396 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.29 99.19 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.923 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.11 -43.44 79.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.975 0 C-N-CA 123.502 0.721 . . . . 0.0 111.309 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.34 -50.65 70.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.242 0.617 . . . . 0.0 110.423 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -67.37 -40.87 85.76 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.166 -175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.18 -29.66 61.86 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.013 0.525 . . . . 0.0 110.294 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.81 -53.57 48.78 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.09 -36.23 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.038 0.935 . . . . 0.0 111.22 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -63.34 -35.96 82.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.141 1.377 . . . . 0.0 111.616 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.1 m -85.29 -47.91 9.59 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.538 0.735 . . . . 0.0 111.562 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -93.58 -33.92 13.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.87 0.868 . . . . 0.0 112.248 -166.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.72 20.28 64.02 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.503 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.84 157.7 36.96 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.489 0.716 . . . . 0.0 110.703 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.02 157.07 83.83 Favored Pre-proline 0 CA--C 1.561 1.377 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -57.88 -39.34 87.54 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 123.085 2.524 . . . . 0.0 113.351 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.06 -48.72 67.55 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.829 0.705 . . . . 0.0 112.842 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.92 -42.18 97.46 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.439 1.096 . . . . 0.0 110.739 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -54.79 41.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.054 0.942 . . . . 0.0 110.71 -177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.74 -39.4 88.55 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.542 1.137 . . . . 0.0 111.121 178.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.75 -45.24 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 124.054 0.941 . . . . 0.0 110.915 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 96.1 mt -67.13 -41.63 85.84 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.001 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.49 -33.5 75.22 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.053 -176.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -66.48 -28.0 68.23 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.475 0.579 . . . . 0.0 111.017 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.37 -13.87 77.71 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 123.429 0.456 . . . . 0.0 113.005 175.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 72.3 mmtt -112.37 6.63 18.85 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.438 0.695 . . . . 0.0 112.374 -176.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 t30 64.75 25.93 13.0 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 124.165 0.986 . . . . 0.0 110.518 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 71.08 19.05 5.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.095 1.758 . . . . 0.0 112.087 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -75.3 119.03 18.85 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 tp -59.98 -52.35 65.78 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.291 0.994 . . . . 0.0 110.722 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.9 m -61.74 -40.54 95.44 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.339 1.024 . . . . 0.0 111.959 -172.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.58 90.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.833 0.853 . . . . 0.0 110.864 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -37.76 63.42 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.638 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.6 -46.16 91.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.55 0.74 . . . . 0.0 109.726 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 t -64.05 -33.78 76.54 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.961 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -73.1 -40.7 64.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.523 0.729 . . . . 0.0 111.654 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.79 -47.49 74.98 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.679 0.391 . . . . 0.0 110.924 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.71 -24.04 65.34 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.38 -45.79 61.96 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 123.368 0.667 . . . . 0.0 111.243 177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.36 -26.32 60.96 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.53 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -74.75 -24.06 58.65 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.897 0.879 . . . . 0.0 111.022 172.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -74.02 -20.33 60.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.182 0.593 . . . . 0.0 110.96 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.3 t -75.75 90.9 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -128.92 83.92 2.19 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 169.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.3 m 65.78 15.32 10.0 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 124.014 0.925 . . . . 0.0 111.289 -176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.6 -37.41 76.88 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.584 0.707 . . . . 0.0 110.716 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -139.68 101.35 4.18 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 168.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.6 mt 67.05 141.84 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.72 0 C-N-CA 124.346 1.058 . . . . 0.0 111.401 -175.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.96 93.45 0.39 Allowed 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.627 2.218 . . . . 0.0 111.315 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -122.07 99.39 6.41 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.18 0.992 . . . . 0.0 108.52 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.8 t -75.2 96.7 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -81.31 90.32 6.13 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 173.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -167.29 108.11 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.46 0.704 . . . . 0.0 109.301 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -128.13 113.54 15.87 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 171.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 165.52 96.97 0.11 Allowed Glycine 0 C--N 1.341 0.81 0 O-C-N 123.586 0.554 . . . . 0.0 112.35 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -71.98 142.31 49.39 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.096 0.558 . . . . 0.0 110.092 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.133 0 CA-C-O 118.968 -0.907 . . . . 0.0 112.827 179.139 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.64 75.22 10.32 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.256 0.622 . . . . 0.0 110.94 -176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 49.42 74.78 0.18 Allowed 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.006 1.322 . . . . 0.0 112.215 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.6 m -65.82 -23.69 66.74 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.456 172.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -89.64 24.73 2.22 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.289 1.035 . . . . 0.0 111.698 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.01 50.45 1.73 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.574 0.702 . . . . 0.0 110.497 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.02 3.23 52.38 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.258 1.023 . . . . 0.0 110.459 174.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pp -84.34 176.75 8.5 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.537 1.135 . . . . 0.0 111.455 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 tp 56.92 82.18 0.12 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.167 1.387 . . . . 0.0 112.066 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -96.49 -36.35 10.81 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.4 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -153.88 146.98 17.94 Favored Pre-proline 0 N--CA 1.481 1.093 0 C-N-CA 124.185 0.994 . . . . 0.0 108.503 170.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.82 -25.04 8.06 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.469 2.113 . . . . 0.0 113.882 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.2 ttt -164.13 -45.72 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.044 0.938 . . . . 0.0 109.02 -175.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.4 m -152.04 -63.9 0.17 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.91 0.884 . . . . 0.0 109.176 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 54' ' ' TRP . 54.1 tp -162.02 118.03 2.02 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.796 0.838 . . . . 0.0 109.986 -178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -120.51 101.61 7.88 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 167.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtt -57.53 -33.46 68.11 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.894 0.878 . . . . 0.0 112.054 -173.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.81 -45.67 88.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.393 0.677 . . . . 0.0 110.651 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.49 76.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.277 0.631 . . . . 0.0 111.493 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.92 -34.96 71.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 123.243 0.617 . . . . 0.0 110.28 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -68.17 -50.73 52.57 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.282 1.033 . . . . 0.0 110.936 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.3 t -65.41 -45.98 81.79 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.534 0.734 . . . . 0.0 111.143 -173.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.16 -34.89 78.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.607 0.763 . . . . 0.0 111.579 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -62.31 -57.4 11.51 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.529 0.332 . . . . 0.0 110.412 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -43.77 74.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.317 1.047 . . . . 0.0 111.34 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -68.62 -33.15 73.53 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.578 0.751 . . . . 0.0 111.852 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 t -81.02 -50.9 9.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.94 0.496 . . . . 0.0 111.288 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 68.3 p -85.92 -30.8 22.55 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.774 0.83 . . . . 0.0 112.133 -169.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.34 19.55 62.16 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.539 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.73 159.25 28.04 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.345 0.658 . . . . 0.0 111.15 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -86.58 155.59 56.45 Favored Pre-proline 0 CA--C 1.552 1.051 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.49 -41.28 79.51 Favored 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 123.497 2.798 . . . . 0.0 113.767 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.03 -48.34 48.23 Favored Glycine 0 C--N 1.345 1.078 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.774 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 tp -59.85 -45.39 92.58 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.696 0.798 . . . . 0.0 110.417 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.2 -57.87 10.72 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.449 -176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -39.18 93.99 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.406 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.8 -39.58 93.82 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.354 0.662 . . . . 0.0 110.827 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 84.7 mt -66.61 -47.19 73.47 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.237 176.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.0 -42.41 85.1 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 114.789 -1.096 . . . . 0.0 112.119 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -60.01 -39.83 87.17 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.866 0.303 . . . . 0.0 111.087 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.59 -21.08 79.81 Favored Glycine 0 C--N 1.346 1.127 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.336 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' A' ' 59' ' ' ALA . 11.1 mmpt? -100.35 18.04 19.93 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.1 t30 63.22 22.34 13.3 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.413 1.085 . . . . 0.0 111.286 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.472 ' HB3' HD11 ' A' ' 25' ' ' LEU . 83.6 m95 56.02 28.57 12.98 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.466 1.906 . . . . 0.0 112.481 -173.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.22 115.26 23.66 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 65.3 tp -54.79 -50.52 68.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.246 1.018 . . . . 0.0 111.482 -176.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.9 m -62.66 -36.77 83.93 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.534 0.733 . . . . 0.0 111.518 -174.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.44 92.53 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.546 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.529 ' HA ' ' HG3' ' A' ' 52' ' ' LYS . . . -71.89 -37.78 70.08 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.575 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 91.8 mt -61.17 -47.5 85.89 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.27 0.628 . . . . 0.0 109.369 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 t -64.19 -42.05 96.82 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.808 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' HB2' ' HD2' ' A' ' 52' ' ' LYS . 24.9 t70 -71.82 -44.89 63.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.856 0.463 . . . . 0.0 110.711 -175.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 80.1 t80 -59.62 -52.07 67.1 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.793 0.683 . . . . 0.0 110.285 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.67 -32.51 72.69 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 123.697 0.623 . . . . 0.0 110.205 -175.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 68' ' ' GLN . 34.8 tt0 -66.03 -45.78 80.24 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 123.602 0.761 . . . . 0.0 111.951 177.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.37 -28.35 56.74 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.65 -19.63 29.0 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.206 0.203 . . . . 0.0 111.233 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' HA ' HD11 ' A' ' 74' ' ' LEU . 16.4 mm-40 -48.92 -56.39 8.98 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.735 1.214 . . . . 0.0 111.656 172.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 t 53.02 36.69 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 CA-C-N 114.271 -1.331 . . . . 0.0 109.214 -168.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 60.21 47.49 9.23 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.731 1.612 . . . . 0.0 111.004 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 m 60.76 38.22 18.33 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.339 1.456 . . . . 0.0 111.37 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.31 -55.96 5.71 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.136 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -142.42 93.09 2.49 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.486 HD11 ' HA ' ' A' ' 68' ' ' GLN . 94.8 mt -135.01 138.98 30.7 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 124.086 0.954 . . . . 0.0 110.347 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.87 115.57 2.89 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.444 2.096 . . . . 0.0 110.102 164.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -68.81 101.23 1.3 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.584 0.707 . . . . 0.0 110.921 -176.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.1 m -109.94 29.27 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 124.819 1.248 . . . . 0.0 109.675 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -67.11 -20.11 65.73 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.517 1.127 . . . . 0.0 111.428 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -63.94 -33.16 75.09 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.208 0.603 . . . . 0.0 111.433 173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 59.65 -178.41 0.09 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.882 1.273 . . . . 0.0 112.688 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 81.59 -63.97 4.27 Favored Glycine 0 C--N 1.349 1.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 113.108 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -137.66 96.92 3.33 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.622 1.169 . . . . 0.0 108.097 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.267 0 CA-C-O 118.698 -1.057 . . . . 0.0 111.487 174.303 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.1 p . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.72 0.295 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.12 101.25 2.73 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.312 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -40.83 79.37 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.441 1.096 . . . . 0.0 111.925 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.5 m 58.65 -169.34 0.13 Allowed 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 124.72 1.208 . . . . 0.0 113.064 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.7 m95 68.62 163.51 0.22 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 125.409 1.484 . . . . 0.0 112.148 174.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.37 36.23 1.65 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.538 0.735 . . . . 0.0 109.866 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.79 103.48 12.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.281 1.032 . . . . 0.0 110.439 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -159.81 159.58 32.8 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 123.72 0.808 . . . . 0.0 109.389 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -131.41 164.58 25.39 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.043 0.937 . . . . 0.0 110.169 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -88.23 86.94 7.16 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.433 0.635 . . . . 0.0 110.094 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -156.37 138.03 9.81 Favored Pre-proline 0 CA--C 1.543 0.681 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.91 -42.53 36.77 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.423 2.082 . . . . 0.0 112.728 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.5 mtt -94.53 -81.8 0.38 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.307 0.643 . . . . 0.0 109.665 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -162.24 -40.57 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.687 1.195 . . . . 0.0 108.515 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 30' ' ' VAL . 69.8 tp -157.35 130.89 7.95 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.884 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -127.73 96.52 4.54 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 166.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.9 mtt -52.96 -35.37 58.8 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.128 0.971 . . . . 0.0 113.26 -172.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.09 -45.2 67.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.179 0.591 . . . . 0.0 110.188 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.64 82.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.259 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 HG21 HD12 ' A' ' 25' ' ' LEU . 77.7 t -70.98 -37.92 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.471 1.108 . . . . 0.0 110.597 -178.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.3 -49.97 69.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.229 0.612 . . . . 0.0 110.074 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.8 t -67.14 -38.49 85.64 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.112 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.71 -40.57 66.07 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.37 0.668 . . . . 0.0 110.078 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.47 -54.21 49.4 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.585 0.553 . . . . 0.0 109.557 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.65 -37.0 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.451 1.1 . . . . 0.0 111.545 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -74.17 -34.71 63.88 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.943 0.897 . . . . 0.0 111.588 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.6 m -87.0 -37.66 17.3 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.173 0.589 . . . . 0.0 111.785 -175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 p -96.15 -28.75 14.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.706 0.802 . . . . 0.0 111.558 -172.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 7.31 87.97 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.518 -173.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' HD23 ' A' ' 44' ' ' LEU . . . -74.87 154.02 38.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 109.94 178.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.19 158.79 81.46 Favored Pre-proline 0 CA--C 1.554 1.101 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -61.73 -30.3 84.74 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.987 2.458 . . . . 0.0 113.394 -175.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.63 -47.96 31.36 Favored Glycine 0 C--N 1.349 1.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.597 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 48.0 tp -62.46 -43.01 99.85 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.861 0.864 . . . . 0.0 110.093 176.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.85 16.95 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.311 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -55.64 -40.83 72.71 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.601 1.16 . . . . 0.0 111.227 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.35 -48.95 78.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.462 0.705 . . . . 0.0 111.55 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 55.6 mt -69.39 -39.5 77.94 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.693 0.62 . . . . 0.0 110.216 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.15 -51.16 70.21 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.003 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG2' ' HE1' ' A' ' 54' ' ' TRP . 77.3 mt-10 -58.8 -34.54 71.6 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.107 0.563 . . . . 0.0 111.603 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.81 -22.74 78.26 Favored Glycine 0 C--N 1.35 1.336 0 CA-C-N 115.522 -0.763 . . . . 0.0 113.617 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.642 ' HE2' ' HB2' ' A' ' 62' ' ' ASP . 44.6 mmtm -107.54 19.61 19.98 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.862 0.865 . . . . 0.0 112.734 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t30 63.75 31.74 14.07 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 122.714 1.245 . . . . 0.0 110.095 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.409 ' HE1' ' HG2' ' A' ' 50' ' ' GLU . 60.8 m95 57.32 18.3 4.25 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 126.498 1.919 . . . . 0.0 113.756 -175.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.83 112.31 12.09 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 tp -53.5 -46.21 69.95 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.379 1.049 . . . . 0.0 111.377 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -62.21 -44.78 95.81 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.148 0.979 . . . . 0.0 111.875 -171.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.62 68.16 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.132 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.78 -35.15 64.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.294 0.638 . . . . 0.0 111.507 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.61 0.764 . . . . 0.0 109.689 175.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.6 t -73.55 -28.49 61.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.642 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 36.2 t70 -68.62 -46.52 69.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.404 0.682 . . . . 0.0 109.859 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -57.4 -51.22 70.29 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.067 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.34 -31.86 72.56 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 122.753 0.421 . . . . 0.0 110.619 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.42 -46.21 64.37 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.982 0.913 . . . . 0.0 110.582 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.61 -29.5 51.89 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 122.131 -0.356 . . . . 0.0 111.686 -175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -3.19 58.99 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 117.926 0.33 . . . . 0.0 110.811 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -64.82 -61.79 1.96 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.556 0.743 . . . . 0.0 109.697 175.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.7 t 52.25 100.44 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.388 1.475 . . . . 0.0 112.109 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -71.95 -21.98 61.52 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.883 0.873 . . . . 0.0 111.736 -171.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.6 t -92.5 1.89 56.99 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.526 0.731 . . . . 0.0 111.677 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.35 163.07 13.73 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.556 0.742 . . . . 0.0 110.802 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.94 39.55 1.27 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.754 0.822 . . . . 0.0 110.516 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.25 141.6 86.21 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 123.512 0.725 . . . . 0.0 110.916 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -81.76 50.45 3.49 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.359 2.706 . . . . 0.0 112.471 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -73.59 83.26 1.54 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.183 0.992 . . . . 0.0 110.115 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.9 m -103.09 152.4 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.018 0.927 . . . . 0.0 110.039 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -149.73 -41.08 0.14 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.319 0.648 . . . . 0.0 110.181 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -73.3 103.14 3.89 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.585 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -157.16 178.53 10.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.543 1.137 . . . . 0.0 109.634 -176.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.32 -21.89 32.64 Favored Glycine 0 C--N 1.346 1.127 0 N-CA-C 114.576 0.59 . . . . 0.0 114.576 168.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -115.7 143.44 45.37 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 117.796 0.798 . . . . 0.0 109.74 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 CA-C-O 119.254 -0.748 . . . . 0.0 112.106 179.282 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 121.21 0.529 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.06 139.51 32.3 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.459 1.103 . . . . 0.0 108.895 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -145.74 -72.36 0.24 Allowed 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -176.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.1 m -90.06 118.99 30.03 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.779 0.431 . . . . 0.0 110.458 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -75.12 -52.43 11.02 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.356 0.662 . . . . 0.0 109.812 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.74 26.79 15.09 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.65 1.219 . . . . 0.0 111.838 -178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.1 33.08 4.47 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.295 1.038 . . . . 0.0 111.253 -173.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.32 -29.47 57.31 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.995 0.918 . . . . 0.0 111.086 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.7 mt 69.88 103.77 0.06 Allowed 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.852 1.261 . . . . 0.0 111.624 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -124.31 37.91 4.3 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.48 1.112 . . . . 0.0 110.13 -177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 2.6 p-10 -70.68 164.78 52.2 Favored Pre-proline 0 CA--C 1.567 1.628 0 C-N-CA 123.338 0.655 . . . . 0.0 110.151 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 21' ' ' ASP . 17.8 Cg_endo -55.74 -27.58 62.31 Favored 'Trans proline' 0 C--N 1.389 2.703 0 C-N-CA 123.21 2.606 . . . . 0.0 114.961 -176.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.1 mmt -116.91 -91.99 0.53 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 122.825 0.45 . . . . 0.0 110.379 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -171.67 14.13 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.309 1.043 . . . . 0.0 109.838 -173.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HG ' HG21 ' A' ' 30' ' ' VAL . 9.5 tt -131.02 106.17 8.22 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.828 0.851 . . . . 0.0 109.039 -166.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.45 117.47 28.39 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -55.83 -41.47 74.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.843 0.857 . . . . 0.0 112.653 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.78 -40.42 91.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.86 0.864 . . . . 0.0 111.25 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.22 71.31 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.971 0.508 . . . . 0.0 110.872 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG21 ' HG ' ' A' ' 25' ' ' LEU . 71.5 t -65.16 -33.91 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.474 1.11 . . . . 0.0 111.123 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.4 tp -60.71 -46.79 89.06 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.759 173.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 t -65.86 -40.28 91.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.016 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.0 -47.16 86.98 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.531 0.733 . . . . 0.0 110.346 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.94 -59.18 5.79 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.644 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.1 t -55.8 -37.08 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.962 0.905 . . . . 0.0 111.837 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -71.67 -30.61 65.89 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.894 0.877 . . . . 0.0 111.253 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 m -89.64 -34.5 16.27 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.401 0.68 . . . . 0.0 112.225 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -102.7 -26.42 13.18 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.537 0.735 . . . . 0.0 112.308 -168.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.09 78.73 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.891 -173.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.51 162.55 28.7 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.486 0.714 . . . . 0.0 111.068 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.66 158.22 78.72 Favored Pre-proline 0 CA--C 1.555 1.166 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -54.89 -38.7 92.56 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 123.156 2.571 . . . . 0.0 113.463 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.14 -50.51 45.3 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.122 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.64 -37.74 85.13 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.702 0.801 . . . . 0.0 110.239 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -55.94 27.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.928 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -37.91 81.92 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.231 1.012 . . . . 0.0 111.587 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -63.3 -50.57 69.53 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.459 0.704 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 87.5 mt -67.97 -40.75 83.11 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.627 -178.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.98 -56.18 24.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.308 0.643 . . . . 0.0 110.965 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -60.97 -31.63 71.2 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.343 0.657 . . . . 0.0 112.085 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.83 -26.61 71.29 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.735 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 69.0 mmtt -109.18 21.08 17.59 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.526 0.73 . . . . 0.0 112.121 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 67.75 33.97 4.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 122.13 0.967 . . . . 0.0 110.512 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 60.81 12.2 3.65 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 125.948 1.699 . . . . 0.0 114.147 -174.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.29 104.56 2.27 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.514 ' HB2' HG13 ' A' ' 30' ' ' VAL . 68.0 tp -49.44 -53.85 20.72 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.82 1.325 . . . . 0.0 111.462 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -59.33 -42.35 91.28 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.189 0.995 . . . . 0.0 112.118 -174.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.91 -36.61 78.21 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.258 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.02 -40.14 68.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.789 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.1 mt -58.61 -45.54 88.94 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.623 0.769 . . . . 0.0 110.511 175.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -65.96 -36.9 84.58 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.375 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -67.76 -38.61 83.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.666 0.786 . . . . 0.0 110.555 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.96 -45.24 74.77 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.061 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.3 -17.7 61.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.198 0.199 . . . . 0.0 110.561 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.48 -47.61 54.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.179 0.592 . . . . 0.0 110.484 172.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.87 -25.91 60.29 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.533 0.333 . . . . 0.0 111.204 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -76.44 -24.98 53.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.2 0.6 . . . . 0.0 111.611 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.03 -62.1 2.1 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.813 0.845 . . . . 0.0 112.135 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t 57.61 37.84 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 CA-C-O 122.291 1.043 . . . . 0.0 111.008 177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -82.77 120.41 25.58 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.874 -176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 m 66.18 22.28 11.03 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 124.566 1.146 . . . . 0.0 111.36 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.26 165.98 25.35 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.68 0.792 . . . . 0.0 111.078 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -116.51 67.94 0.73 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.051 0.94 . . . . 0.0 110.459 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 7.2 mp -104.06 126.9 30.46 Favored Pre-proline 0 N--CA 1.479 0.983 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 4.8 Cg_exo -76.6 30.95 0.4 Allowed 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.64 2.893 . . . . 0.0 114.415 -177.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 74' ' ' LEU . 90.1 m-70 -71.05 -12.17 61.37 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.495 0.718 . . . . 0.0 111.417 174.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.8 m -68.53 -10.26 12.77 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 124.421 1.088 . . . . 0.0 112.634 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -60.6 100.23 0.1 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.856 0.862 . . . . 0.0 110.537 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -167.16 139.6 3.4 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.107 0.963 . . . . 0.0 108.832 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.24 148.79 30.0 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 123.964 0.906 . . . . 0.0 109.483 174.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 165.94 80.53 0.04 OUTLIER Glycine 0 C--N 1.341 0.85 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.26 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -87.16 80.92 8.16 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.171 0.986 . . . . 0.0 109.861 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.813 -179.213 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.04 70.93 10.64 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 172.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -99.08 8.83 44.56 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.867 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.9 p -78.39 86.25 4.46 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.816 0.846 . . . . 0.0 110.366 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -131.53 148.98 52.67 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.282 0.633 . . . . 0.0 110.416 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.12 67.34 1.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.526 0.73 . . . . 0.0 109.361 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.53 123.93 29.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.912 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.6 tp -113.46 102.93 10.77 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -89.46 81.05 6.62 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.63 128.87 11.97 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.805 0.842 . . . . 0.0 109.683 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -69.08 150.02 97.59 Favored Pre-proline 0 C--O 1.245 0.839 0 C-N-CA 124.439 1.095 . . . . 0.0 111.04 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -51.76 -39.25 67.61 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 123.044 2.496 . . . . 0.0 113.315 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.4 mtp -98.48 -80.18 0.46 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.088 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -154.84 -53.38 0.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 tt -140.15 106.82 5.35 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 159.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -98.49 107.07 19.43 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.3 mtt -60.49 -28.02 68.03 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -173.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.39 -40.0 70.83 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.969 0.508 . . . . 0.0 109.659 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.17 -41.84 73.25 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.258 0.623 . . . . 0.0 110.59 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.96 -38.3 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.354 0.662 . . . . 0.0 110.838 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.1 tp -69.56 -50.82 41.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.886 0.474 . . . . 0.0 110.161 178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -65.49 -48.34 72.95 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.732 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.63 -31.07 68.96 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.542 0.737 . . . . 0.0 112.016 -178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -60.9 -56.14 24.73 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.01 -38.74 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.374 1.07 . . . . 0.0 111.874 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.58 -30.29 61.65 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.664 0.785 . . . . 0.0 111.498 -176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.4 t -89.99 -36.83 14.73 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.798 0.439 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.461 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 81.2 p -96.01 -34.09 11.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.354 0.662 . . . . 0.0 111.887 -171.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.1 20.8 60.14 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.596 -172.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.65 149.86 27.14 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.361 0.664 . . . . 0.0 110.338 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -74.77 158.46 84.71 Favored Pre-proline 0 CA--C 1.557 1.245 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -56.97 -36.81 99.4 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 123.383 2.722 . . . . 0.0 113.856 -176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.36 -48.18 53.36 Favored Glycine 0 C--N 1.346 1.09 0 O-C-N 123.194 0.309 . . . . 0.0 112.942 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.31 -42.01 97.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.788 0.835 . . . . 0.0 110.202 176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.33 -56.9 13.95 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.196 -177.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -41.95 71.02 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.411 1.084 . . . . 0.0 111.681 178.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.6 -49.75 72.11 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.74 0.65 . . . . 0.0 111.041 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 95.2 mt -59.9 -50.19 74.75 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.681 0.613 . . . . 0.0 109.775 177.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -55.41 -54.02 49.03 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.066 0.854 . . . . 0.0 111.839 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 34.6 mt-10 -57.13 -33.95 67.89 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 122.667 0.387 . . . . 0.0 111.944 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.88 -27.78 71.71 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.739 175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mmtt -100.95 14.59 31.4 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.315 0.646 . . . . 0.0 111.457 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 68.15 24.09 7.76 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.967 1.307 . . . . 0.0 112.305 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 82.7 m95 69.22 14.93 8.63 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 126.405 1.882 . . . . 0.0 112.747 -178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.19 107.76 3.35 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 64.0 tp -52.58 -56.93 11.87 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 110.668 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.6 m -60.97 -36.52 79.65 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.096 0.959 . . . . 0.0 112.423 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.77 -42.61 90.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.081 0.552 . . . . 0.0 110.975 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.65 -35.49 70.38 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.7 mt -60.7 -47.64 85.37 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.193 0.597 . . . . 0.0 109.528 176.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.5 t -69.8 -31.43 69.33 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.669 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.24 -47.47 61.21 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.85 0.46 . . . . 0.0 110.179 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 81.7 t80 -57.22 -49.1 77.05 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.178 0.991 . . . . 0.0 111.075 -178.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 15.8 pt-20 -69.03 -35.39 76.57 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -64.21 -44.05 93.11 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.72 0.808 . . . . 0.0 111.424 -177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.18 -26.03 62.79 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -84.71 -13.0 52.68 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 28.4 mm-40 -71.28 -56.24 6.42 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 72' ' ' ALA . 38.0 t 58.62 99.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 124.239 1.016 . . . . 0.0 110.003 -174.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -60.03 -33.38 71.94 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.804 0.841 . . . . 0.0 112.077 -171.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.8 p -74.04 -42.71 59.85 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.246 0.618 . . . . 0.0 110.987 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -84.93 66.11 9.56 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.453 0.701 . . . . 0.0 110.185 178.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 56.47 89.93 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.945 1.298 . . . . 0.0 111.471 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -66.32 161.05 61.18 Favored Pre-proline 0 N--CA 1.484 1.268 0 C-N-CA 123.135 0.574 . . . . 0.0 110.336 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -48.69 -30.32 16.45 Favored 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 123.231 2.621 . . . . 0.0 113.691 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.9 t60 60.84 51.52 4.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.416 1.086 . . . . 0.0 109.659 173.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 m -74.97 122.92 29.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.105 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -69.55 105.98 2.84 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.756 0.822 . . . . 0.0 108.8 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 66.11 -78.87 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.981 1.312 . . . . 0.0 111.096 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 58.01 82.1 0.14 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.506 1.123 . . . . 0.0 111.036 -175.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.97 135.11 3.27 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.358 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -107.39 72.4 0.87 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.534 0.734 . . . . 0.0 109.711 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.31 0 CA-C-O 118.63 -1.094 . . . . 0.0 111.921 178.496 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.45 73.3 8.5 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.553 0.692 . . . . 0.0 109.291 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.77 115.52 30.33 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 -176.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.2 t -140.75 160.24 40.48 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.562 0.745 . . . . 0.0 110.813 -174.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.3 m-90 -80.99 67.21 6.81 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.744 0.818 . . . . 0.0 110.296 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.37 -54.17 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.839 0.855 . . . . 0.0 109.483 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 67.77 165.92 0.23 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.82 1.248 . . . . 0.0 111.892 -176.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.49 123.85 31.39 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.099 0.56 . . . . 0.0 109.921 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -103.35 162.56 12.9 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.812 0.845 . . . . 0.0 109.751 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -90.43 2.38 55.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.25 0.62 . . . . 0.0 111.246 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.1 152.49 41.35 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 124.136 0.975 . . . . 0.0 110.572 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -61.91 -31.59 84.7 Favored 'Trans proline' 0 C--N 1.383 2.393 0 C-N-CA 122.746 2.297 . . . . 0.0 112.311 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.8 ttt -154.52 -70.86 0.13 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.766 0.826 . . . . 0.0 109.103 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -149.44 -59.41 0.21 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.07 126.37 11.47 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -124.79 115.25 20.39 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.3 mtt -53.53 -41.64 66.61 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.886 0.875 . . . . 0.0 112.271 -175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.64 -48.61 74.21 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.115 0.566 . . . . 0.0 110.249 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.78 -36.16 82.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.235 0.614 . . . . 0.0 111.689 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.1 t -73.85 -47.16 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.964 0.905 . . . . 0.0 110.842 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.34 -44.97 86.04 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.387 0.675 . . . . 0.0 110.553 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -67.42 -41.29 85.07 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.341 0.656 . . . . 0.0 111.05 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.74 -46.11 86.81 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.642 0.589 . . . . 0.0 109.695 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -59.48 -60.03 4.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 124.302 1.001 . . . . 0.0 110.466 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.0 t -57.28 -45.07 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.623 0.769 . . . . 0.0 111.499 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -70.18 -38.35 75.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.395 -174.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.1 t -78.5 -54.97 5.58 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.073 0.549 . . . . 0.0 110.677 -176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.415 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.7 p -75.74 -21.8 57.13 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.475 0.71 . . . . 0.0 111.805 -173.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.05 29.27 62.95 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.032 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.04 176.4 9.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.632 0.773 . . . . 0.0 111.059 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -96.73 158.92 32.79 Favored Pre-proline 0 CA--C 1.554 1.127 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 174.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -58.08 -38.06 93.2 Favored 'Trans proline' 0 C--N 1.379 2.182 0 C-N-CA 123.129 2.552 . . . . 0.0 112.655 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.39 -50.45 55.64 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 123.773 0.671 . . . . 0.0 113.506 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -61.11 -48.68 80.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.704 0.802 . . . . 0.0 110.477 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.1 -57.41 12.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.545 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -59.62 -38.86 82.46 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.36 1.064 . . . . 0.0 111.402 -179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.78 -41.08 92.45 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.269 0.628 . . . . 0.0 111.03 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.22 -42.58 88.51 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.652 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.89 -45.87 91.88 Favored 'General case' 0 C--O 1.212 -0.912 0 O-C-N 124.031 0.832 . . . . 0.0 111.334 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 52.8 mt-10 -58.48 -39.19 79.3 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.781 0.432 . . . . 0.0 110.945 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.17 -20.32 79.9 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 115.503 -0.771 . . . . 0.0 113.565 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -108.24 17.74 21.88 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.449 0.7 . . . . 0.0 112.418 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t30 62.11 25.85 15.51 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 122.509 1.147 . . . . 0.0 111.111 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.8 m95 64.51 18.75 11.53 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.27 1.828 . . . . 0.0 112.326 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -75.72 105.6 6.84 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 tp -48.7 -55.77 10.44 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.981 1.426 . . . . 0.0 111.811 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.7 m -58.35 -39.41 79.43 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.992 0.917 . . . . 0.0 112.513 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.3 -38.1 78.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.835 0.854 . . . . 0.0 111.001 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.89 -37.36 67.32 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.09 -46.43 87.44 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.594 0.758 . . . . 0.0 109.431 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -63.68 -33.63 76.07 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.773 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -74.8 -37.91 62.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.505 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 66.8 t80 -64.5 -51.99 60.16 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.312 0.645 . . . . 0.0 110.893 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -65.21 -30.09 70.95 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.22 0.608 . . . . 0.0 110.717 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -51.14 69.91 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 123.914 0.886 . . . . 0.0 110.44 173.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.15 -23.94 59.34 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.402 0.144 . . . . 0.0 111.141 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.9 mmt-85 -78.55 -23.49 46.14 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.263 0.625 . . . . 0.0 111.251 175.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -55.14 -58.08 9.15 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.671 0.788 . . . . 0.0 111.237 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 72' ' ' ALA . 41.5 t 54.89 96.44 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 124.667 1.187 . . . . 0.0 111.489 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -64.45 -22.21 66.89 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.121 0.568 . . . . 0.0 111.916 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.4 m -70.53 -34.86 72.76 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.718 0.807 . . . . 0.0 110.554 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' H ' HG12 ' A' ' 69' ' ' VAL . . . -84.88 -62.97 1.42 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.476 0.711 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -88.82 141.29 28.63 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.838 0.855 . . . . 0.0 111.103 -174.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.56 154.39 73.77 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.06 0.944 . . . . 0.0 109.313 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -44.73 -77.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 123.676 2.917 . . . . 0.0 113.896 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -177.12 95.37 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.392 0.677 . . . . 0.0 110.774 175.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.24 130.53 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 170.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -147.54 23.13 1.14 Allowed 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.689 0.756 . . . . 0.0 109.38 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -71.02 98.47 1.63 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.888 -174.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -131.86 172.32 12.46 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.207 1.003 . . . . 0.0 109.726 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.98 -88.06 0.3 Allowed Glycine 0 C--N 1.351 1.367 0 O-C-N 123.684 0.615 . . . . 0.0 113.162 176.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -149.79 145.63 26.72 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.913 0.885 . . . . 0.0 108.786 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 119.119 -0.823 . . . . 0.0 111.159 177.138 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.33 95.16 2.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.495 1.118 . . . . 0.0 108.896 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -94.55 -38.14 11.03 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.645 0.778 . . . . 0.0 110.027 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.9 m -87.65 49.77 1.87 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.252 1.021 . . . . 0.0 111.871 -172.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -60.46 -45.1 94.93 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.708 0.803 . . . . 0.0 111.081 175.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.92 -42.43 73.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.174 0.59 . . . . 0.0 110.101 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.43 86.54 0.08 Allowed 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.637 1.211 . . . . 0.0 111.152 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -73.0 150.13 42.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.097 0.559 . . . . 0.0 110.888 -175.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.92 114.76 9.3 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.886 0.874 . . . . 0.0 109.213 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -162.78 165.39 25.49 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.112 0.965 . . . . 0.0 110.042 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.63 159.03 39.45 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 123.308 0.643 . . . . 0.0 109.528 170.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 26' ' ' ASP . 65.8 Cg_exo -47.0 -12.72 0.1 Allowed 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 124.401 3.401 . . . . 0.0 116.671 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.9 ttt -148.24 -57.96 0.23 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.922 0.889 . . . . 0.0 109.201 173.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t -165.49 -43.76 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.173 0.989 . . . . 0.0 110.024 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 54' ' ' TRP . 54.8 tp -144.88 121.31 10.99 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.026 1.33 . . . . 0.0 108.019 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' HB2' ' HD2' ' A' ' 22' ' ' PRO . 10.6 t70 -118.26 100.49 7.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 172.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.9 mtt -57.03 -32.23 65.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.072 0.949 . . . . 0.0 112.283 -174.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.95 -46.96 69.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.177 0.591 . . . . 0.0 110.219 176.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.83 -42.13 86.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.701 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 56' ' ' LEU . 91.8 t -67.64 -36.62 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.388 1.075 . . . . 0.0 110.81 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.34 0.656 . . . . 0.0 109.908 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -64.31 -39.71 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.471 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.1 -46.11 78.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.502 0.721 . . . . 0.0 110.388 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -58.69 -53.5 57.7 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.9 -39.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 124.207 1.003 . . . . 0.0 111.829 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -67.43 -36.65 81.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.581 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -82.9 -45.16 14.54 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.749 0.82 . . . . 0.0 111.795 -175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.429 ' HB ' ' CE2' ' A' ' 63' ' ' TYR . 66.6 p -95.04 -27.17 15.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.821 0.848 . . . . 0.0 111.648 -168.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.77 6.05 89.34 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.932 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . . . -72.36 148.53 45.2 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -73.7 155.63 88.94 Favored Pre-proline 0 CA--C 1.554 1.112 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -55.77 -32.9 86.18 Favored 'Trans proline' 0 N--CA 1.506 2.26 0 C-N-CA 123.428 2.752 . . . . 0.0 113.616 -178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.4 -49.64 55.3 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 116.504 -0.317 . . . . 0.0 112.463 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.94 -40.38 94.94 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.813 0.845 . . . . 0.0 110.014 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.84 -52.4 65.23 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 124.974 1.31 . . . . 0.0 111.071 -177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -40.44 83.91 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.591 1.157 . . . . 0.0 111.034 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.13 -44.59 97.1 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.301 0.64 . . . . 0.0 111.048 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 73.4 mt -70.86 -40.47 72.3 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.6 mt -67.21 -50.91 59.07 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.93 0.892 . . . . 0.0 111.411 -175.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HG2' ' NE1' ' A' ' 54' ' ' TRP . 44.6 mt-10 -57.03 -36.54 70.59 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.801 0.841 . . . . 0.0 111.95 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.15 -20.17 74.66 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.327 -0.852 . . . . 0.0 113.442 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 36.5 mmtm -105.89 15.74 26.18 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.881 0.872 . . . . 0.0 111.502 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.7 t30 62.81 39.51 10.7 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.542 1.163 . . . . 0.0 110.033 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' NE1' ' HG2' ' A' ' 50' ' ' GLU . 79.0 m95 55.72 25.9 8.8 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.447 1.899 . . . . 0.0 113.901 -174.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.78 109.35 9.3 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' HB2' HG13 ' A' ' 30' ' ' VAL . 60.3 tp -52.41 -52.02 56.04 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.587 1.18 . . . . 0.0 110.991 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' ' 60' ' ' LEU . 5.5 m -64.24 -34.5 78.26 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 124.432 1.093 . . . . 0.0 112.458 -172.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.15 -33.11 50.48 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.733 0.813 . . . . 0.0 111.187 -178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -35.19 64.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.514 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 57' ' ' THR . 95.2 mt -60.11 -45.1 94.1 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.993 0.917 . . . . 0.0 109.792 172.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.2 t -64.48 -38.08 89.77 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.787 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' HB2' ' HE2' ' A' ' 52' ' ' LYS . 28.4 t70 -68.3 -42.26 79.73 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.334 0.654 . . . . 0.0 111.133 178.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 69.2 t80 -67.99 -45.83 73.0 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.649 0.779 . . . . 0.0 111.627 -178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.9 pt-20 -64.91 -31.49 72.75 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -64.51 -48.48 74.98 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 123.929 0.891 . . . . 0.0 111.645 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 63' ' ' TYR . 4.7 pp -70.04 -18.97 63.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.575 0.35 . . . . 0.0 110.724 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -82.27 -29.2 31.36 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.414 0.686 . . . . 0.0 111.795 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 64' ' ' GLU . 28.5 mm-40 -76.2 -41.16 50.42 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.607 0.363 . . . . 0.0 110.591 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 72' ' ' ALA . 47.4 t 55.83 83.07 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 124.582 1.153 . . . . 0.0 110.961 -178.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -91.02 -52.53 4.8 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.238 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 37.8 p -111.92 -58.91 2.06 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.764 0.826 . . . . 0.0 109.956 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.438 ' HB2' HG13 ' A' ' 69' ' ' VAL . . . 60.6 100.62 0.02 OUTLIER 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.822 1.249 . . . . 0.0 111.021 -174.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -65.38 86.14 0.07 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.745 0.818 . . . . 0.0 110.596 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD23 ' H ' ' A' ' 74' ' ' LEU . 2.4 pt? -77.44 132.87 68.42 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.495 178.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' HB2' HG12 ' A' ' 77' ' ' VAL . 18.9 Cg_exo -66.2 152.4 81.24 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.905 2.403 . . . . 0.0 112.604 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -94.96 11.68 31.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.25 1.02 . . . . 0.0 110.746 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.47 HG12 ' HB2' ' A' ' 75' ' ' PRO . 7.2 p -81.67 94.71 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 122.01 0.909 . . . . 0.0 109.465 176.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -82.08 107.64 14.94 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -141.22 160.37 40.25 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.115 0.966 . . . . 0.0 109.78 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 66.26 7.86 5.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.734 1.214 . . . . 0.0 113.229 177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.61 55.48 2.33 Favored Glycine 0 C--N 1.349 1.291 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -85.4 -62.3 1.56 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.602 0.761 . . . . 0.0 110.051 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.362 0 CA-C-O 119.019 -0.879 . . . . 0.0 112.659 178.473 . . . . . . . . 0 0 . 1 stop_ save_