data_2ndk_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 2ndk _Structure_validation_residue.Date_analyzed 2017-06-30 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 ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.44 0.638 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 41.3 t -50.98 -30.59 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.031 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.32 -49.96 44.07 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.29 -8.86 57.17 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.546 178.258 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 16.4 mt -103.13 -9.99 19.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.811 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.59 -25.95 32.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.78 -8.93 29.92 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.778 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' ASP . 12.3 t -65.47 -123.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.565 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.93 -179.818 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.855 0.359 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.25 -30.54 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.4 -39.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.38 -31.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.973 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.35 -30.04 71.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -28.48 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -81.91 -30.65 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.39 -31.2 52.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.281 0 CA-C-O 121.462 0.648 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.4 t -51.74 -30.65 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.074 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -70.44 -50.63 36.32 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.5 t0 -72.35 -9.02 57.97 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.585 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 37.3 mt -103.28 -10.68 18.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.828 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.49 -28.13 31.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.11 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.76 -8.79 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.62 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 28' ' ' ASP . 12.1 t -65.96 -123.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.59 0 C-N-CA 121.427 -0.416 . . . . 0.0 112.898 -179.746 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.47 -31.08 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -37.69 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.36 -31.83 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.89 -30.5 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.3 p -83.42 -31.55 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.9 t -69.67 -29.94 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.894 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.518 0.675 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -53.02 -32.67 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.78 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.37 -48.91 54.11 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.467 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -70.2 -9.44 55.8 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.485 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 27.5 mt -103.2 -11.84 17.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.735 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.54 -22.4 34.99 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.161 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.63 -8.1 23.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.679 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 28' ' ' ASP . 13.7 t -65.17 -123.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.561 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.95 -179.756 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -30.84 70.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.37 -34.21 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.42 -31.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.56 -29.1 66.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.89 -28.49 67.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -80.68 -30.33 36.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.8 t -62.05 -31.0 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.935 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 121.491 0.662 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.1 t -49.18 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.197 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.84 -50.2 45.06 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -73.05 -8.96 58.07 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.607 178.236 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 25.5 mt -103.18 -9.77 19.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.58 -32.38 28.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.104 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -88.7 -9.28 52.57 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.662 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.9 t -66.0 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.665 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.71 -179.85 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.351 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -29.73 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.86 -37.02 49.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.4 -33.06 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.61 -30.69 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.968 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.16 -29.65 70.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -86.1 -39.14 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.96 -32.23 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.842 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.275 0 CA-C-O 121.559 0.695 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.483 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 42.7 t -56.62 -21.26 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.292 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -50.68 58.22 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -73.89 -8.87 57.7 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.664 178.445 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 18.2 mt -103.02 -6.9 21.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.906 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -39.73 21.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -12.5 59.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.625 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 28' ' ' ASP . 10.1 t -65.9 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -0.767 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.478 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.927 0.394 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -61.11 -31.13 70.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -38.29 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.51 -32.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.794 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -30.18 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.42 -30.18 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 m -82.87 -34.01 26.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.27 -31.65 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.873 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.248 0 CA-C-O 121.511 0.672 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.1 t -53.23 -25.56 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.122 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -53.21 17.07 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.42 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -75.8 -8.88 57.94 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.757 178.492 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 76.3 mt -103.2 -8.49 20.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.69 -33.81 27.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.939 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -86.95 -10.73 52.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.719 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 28' ' ' ASP . 11.1 t -65.81 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.701 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.535 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.833 0.349 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -29.39 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.93 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.4 t -79.42 -32.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -67.07 -25.48 66.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.8 -35.0 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.52 -31.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.45 0.643 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 50.6 t -49.12 -30.31 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.443 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.55 -51.84 25.8 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' O ' HG21 ' A' ' 32' ' ' VAL . 3.7 m-20 -73.42 -8.69 56.93 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.724 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' ALA . 65.6 mt -102.98 -8.78 20.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.888 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -82.66 -30.21 29.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.126 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -9.01 42.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.786 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.5 t -65.71 -123.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.619 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.716 -179.838 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.817 0.341 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -61.27 -31.04 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.91 -35.15 59.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.51 -32.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.36 -30.47 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.2 -27.56 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -31.11 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.33 -30.46 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 121.521 0.677 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -51.7 -29.27 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.074 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.72 -51.31 28.27 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.8 t70 -72.02 -9.74 58.8 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.536 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' HA ' HG23 ' A' ' 32' ' ' VAL . 91.3 mt -103.2 -10.41 18.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.854 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.65 -30.69 29.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.057 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -10.05 47.02 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.545 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.1 t -66.39 -123.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.704 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.612 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -60.29 -28.55 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.79 -39.28 57.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.4 t -79.43 -34.02 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -31.74 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.86 -23.91 38.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.1 m -85.46 -31.37 22.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.4 t -88.07 -31.6 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.908 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.476 0.655 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.42 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.4 t -48.95 -30.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.166 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.4 -50.04 42.78 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' ' 32' ' ' VAL . 2.7 t0 -71.88 -8.76 56.31 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.501 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 86.6 mt -102.98 -9.75 19.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.823 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.52 -29.22 30.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.094 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -92.28 -9.82 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.63 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.88 -123.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.655 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.61 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -30.05 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -33.5 25.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 t -79.36 -31.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -29.93 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.9 p -82.61 -31.62 28.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.16 -32.15 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.913 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.481 0.657 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.7 t -51.27 -31.6 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.064 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -70.25 -50.01 44.14 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -71.48 -8.88 56.7 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.579 178.213 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 49.4 mt -103.11 -10.76 18.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.791 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.47 -26.96 32.16 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.209 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -9.57 34.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.588 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.8 t -65.91 -123.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.622 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.552 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.777 0.322 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -37.84 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.1 t -79.52 -32.6 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.715 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.04 -30.12 67.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.16 -25.57 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -83.88 -30.71 26.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.98 -32.07 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.441 0.639 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.441 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.2 t -51.46 -26.65 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.326 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.06 -52.95 16.54 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -75.69 -8.79 57.7 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.755 178.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 69.5 mt -103.26 -9.57 19.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.6 -28.24 30.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.108 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.42 -10.22 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.672 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 28' ' ' ASP . 11.3 t -65.58 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.694 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.555 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -59.86 -30.64 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -37.88 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.37 -31.81 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.82 -30.36 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.24 -31.34 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.72 -31.63 28.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.65 -31.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.476 0.655 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.7 t -52.51 -28.89 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.031 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -69.91 -50.73 39.3 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 m-20 -72.26 -8.9 57.37 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.538 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.1 mt -103.04 -8.45 20.57 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -36.22 26.17 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.53 -11.19 57.71 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.582 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 28' ' ' ASP . 10.7 t -66.18 -123.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.035 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.721 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.541 179.774 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.853 0.359 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -68.85 -34.78 76.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.67 -39.95 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -79.32 -29.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.95 -28.62 52.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -65.15 -33.19 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -87.24 -36.31 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.21 -30.07 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.519 0.676 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.44 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.5 t -50.86 -29.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.319 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.57 -51.31 29.31 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -73.98 -8.85 57.63 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.638 178.385 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 68.1 mt -103.29 -10.06 19.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.96 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.55 -29.59 30.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.088 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -91.39 -10.05 42.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.658 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.5 t -65.81 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.683 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.856 -179.861 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.823 0.344 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -34.04 76.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -39.58 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 -32.21 14.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.78 -29.14 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.28 -30.11 69.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -83.88 -33.1 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.51 -34.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.281 0 CA-C-O 121.536 0.684 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 53.4 t -51.86 -30.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.186 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.44 -51.23 30.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -72.79 -8.99 58.12 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.636 178.388 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 43.5 mt -103.27 -9.87 19.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.913 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -30.2 29.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.075 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -91.24 -9.77 44.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.73 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.97 -123.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.714 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.461 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.89 -33.8 72.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.82 -35.76 64.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.1 t -79.41 -32.23 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -29.8 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -29.37 67.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -84.19 -30.76 25.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 t -79.27 -31.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.298 0 CA-C-O 121.479 0.657 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -53.12 -32.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.849 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.32 -49.63 47.45 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.6 t0 -70.62 -9.39 56.85 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.538 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 32.6 mt -103.12 -11.47 18.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.604 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.59 -17.4 44.92 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.235 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -107.33 -7.99 16.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 28' ' ' ASP . 12.1 t -65.43 -123.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.592 0 C-N-CA 121.39 -0.433 . . . . 0.0 113.033 -179.639 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -61.7 -31.24 71.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.46 -37.3 51.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -79.32 -31.23 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.13 -29.33 69.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.27 -40.61 86.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.4 m -85.56 -37.26 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 t -64.1 -30.81 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.94 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 121.572 0.701 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.2 t -53.52 -27.14 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.13 -51.35 32.17 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.21 -8.86 57.64 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.642 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 55.9 mt -103.28 -10.11 18.98 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.889 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -82.57 -28.87 30.66 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.126 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -92.61 -9.59 40.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.681 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.7 t -65.89 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.007 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.608 0 C-N-CA 121.279 -0.486 . . . . 0.0 112.684 -179.89 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.817 0.341 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -60.27 -30.62 69.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -75.77 -37.12 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.4 -31.77 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -30.01 70.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.62 -31.34 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -31.45 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.1 t -61.9 -30.27 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.0 t -52.7 -28.76 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.008 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.77 -50.22 45.39 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' O ' HG22 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -71.69 -8.86 56.78 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.517 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 44.1 mt -103.17 -9.68 19.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.812 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -28.87 30.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.094 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.18 -9.24 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.658 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -66.01 -123.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.666 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.798 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.828 0.346 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -60.34 -31.1 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.23 -36.05 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 t -79.41 -31.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.3 -28.93 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.78 -25.92 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.24 -30.71 23.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.16 -34.52 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.946 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 121.453 0.644 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.42 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.8 t -52.04 -29.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.084 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.4 -51.35 30.26 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.36 -8.88 57.74 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.656 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 42.0 mt -103.31 -10.41 18.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.864 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -82.52 -27.59 31.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.138 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -94.12 -9.63 35.9 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.677 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.93 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.74 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.586 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -38.06 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.4 -33.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.28 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -29.0 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -35.28 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.32 -31.49 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.907 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.6 t -52.82 -28.39 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.197 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.19 -51.58 29.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' O ' HG21 ' A' ' 32' ' ' VAL . 3.1 t70 -73.62 -8.81 57.45 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.645 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 19.7 mt -103.22 -7.33 21.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.914 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.21 22.44 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -10.74 59.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.671 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.5 t -65.69 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.717 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.693 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 t . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.982 0.42 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -61.66 -30.63 70.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.94 -42.14 81.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.41 -31.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -29.93 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -27.39 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.75 -30.65 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.98 -33.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.894 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.07 -31.11 24.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.769 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.91 -49.92 40.45 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -70.03 -10.67 59.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.46 178.218 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 34.5 mt -103.23 -11.82 17.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.844 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.49 -27.72 31.61 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.09 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -93.05 -9.31 40.14 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.604 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' ASP . 12.0 t -66.26 -123.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.647 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.593 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.879 0.371 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -34.12 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.25 -39.26 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.36 -31.38 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.945 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.93 -29.87 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -29.68 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -82.0 -30.97 31.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.1 t -65.29 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t -101.38 153.55 19.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -75.89 -32.58 59.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -72.87 -28.5 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -77.54 -30.02 52.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.548 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.11 -24.55 15.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.13 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' LEU . . . -79.39 -46.15 8.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.656 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.18 -33.68 63.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.027 0.441 . . . . 0.0 110.279 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.37 -29.76 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.9 -32.01 57.37 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.875 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.45 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.29 -58.46 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.105 0.479 . . . . 0.0 111.658 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -52.66 -20.31 3.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.428 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.628 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -100.27 -58.28 1.94 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.102 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.628 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.16 -40.92 62.25 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.228 0.537 . . . . 0.0 110.189 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 16.9 t -84.43 -42.63 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.508 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.26 96.41 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.975 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.1 -46.3 7.71 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.499 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 22' ' ' GLY . 4.6 tp -75.45 -42.64 52.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.58 -14.75 58.36 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.232 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -86.48 -59.07 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.127 0.489 . . . . 0.0 111.052 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.66 -12.69 59.81 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.8 8.68 27.76 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 113.976 -1.465 . . . . 0.0 110.725 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -54.42 -30.24 51.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.204 0.526 . . . . 0.0 110.227 -179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -56.77 -27.04 58.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.1 -41.19 35.95 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.44 0.638 . . . . 0.0 109.886 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 41.3 t -50.98 -30.59 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.031 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.32 -49.96 44.07 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.29 -8.86 57.17 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.546 178.258 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 16.4 mt -103.13 -9.99 19.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.811 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.59 -25.95 32.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.78 -8.93 29.92 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.778 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' ASP . 12.3 t -65.47 -123.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.03 -34.46 7.6 Favored Glycine 0 C--N 1.316 -0.565 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.93 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -68.98 -28.91 67.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.9 -11.4 53.28 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.764 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.78 -27.03 60.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 110.695 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.71 -58.12 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -68.0 -21.87 65.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.583 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.73 -40.1 94.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t -78.52 -32.09 16.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.25 -30.54 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.4 -39.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.38 -31.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.973 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.35 -30.04 71.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -28.48 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -81.91 -30.65 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.39 -31.2 52.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 175.87 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.28 -42.48 62.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.8 mt -72.77 -23.12 60.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.032 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -77.58 -30.8 52.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.398 . . . . 0.0 110.313 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -100.04 -26.52 13.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.65 -48.33 13.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.773 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.16 -31.74 62.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 0.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.35 -37.14 74.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.86 -32.04 57.41 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 121.058 -0.592 . . . . 0.0 111.82 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.39 -58.53 3.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.117 0.484 . . . . 0.0 111.594 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -55.23 -19.42 8.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.346 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.637 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -99.25 -58.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.12 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.637 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.03 -42.43 60.32 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.218 0.532 . . . . 0.0 109.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 6.8 t -84.6 -38.51 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.377 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.69 -33.24 86.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.212 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.88 -37.71 21.78 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.472 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 3.6 mp -81.63 -44.48 17.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -67.08 -14.73 64.11 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.04 -0.527 . . . . 0.0 113.221 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -86.46 -58.93 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.155 0.502 . . . . 0.0 111.018 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.9 -12.57 59.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -112.56 10.51 25.94 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.71 178.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -55.66 -33.3 63.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.148 0.499 . . . . 0.0 110.169 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.37 -29.65 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.19 -43.6 28.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.462 0.648 . . . . 0.0 109.836 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.4 t -51.74 -30.65 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.074 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -70.44 -50.63 36.32 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.5 t0 -72.35 -9.02 57.97 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.585 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 37.3 mt -103.28 -10.68 18.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.828 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.49 -28.13 31.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.11 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.76 -8.79 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.62 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 28' ' ' ASP . 12.1 t -65.96 -123.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.91 -33.34 13.08 Favored Glycine 0 C--N 1.315 -0.59 0 C-N-CA 121.427 -0.416 . . . . 0.0 112.898 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -63.71 -28.58 69.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.55 -15.6 34.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.716 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.84 -27.1 60.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.792 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.0 t -72.1 -59.73 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.752 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -63.64 -21.83 66.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.61 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.43 -34.96 75.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 t -78.53 -32.85 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.47 -31.08 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -37.69 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.36 -31.83 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.89 -30.5 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.3 p -83.42 -31.55 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.9 t -69.67 -29.94 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.894 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.831 0.348 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -87.41 109.43 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.92 -35.5 50.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.92 -25.52 61.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.6 -30.19 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 0.0 110.476 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.99 -24.84 14.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.282 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.51 -43.92 11.68 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.926 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.97 -31.37 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.691 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -48.35 81.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.022 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.96 -32.11 57.13 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.1 -0.571 . . . . 0.0 111.86 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.47 -58.53 3.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.063 0.459 . . . . 0.0 111.754 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -54.64 -19.97 7.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.521 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -97.75 -58.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.079 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.627 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.04 -42.32 60.47 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.25 0.548 . . . . 0.0 109.945 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 5.9 t -84.52 -43.1 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.5 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.61 -37.47 93.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.94 -32.67 35.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.627 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 22' ' ' GLY . 18.4 mt -82.66 -46.4 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 111.06 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.7 -14.87 61.2 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.239 -0.505 . . . . 0.0 113.311 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -86.53 -59.04 2.39 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.113 0.482 . . . . 0.0 111.032 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.55 -12.68 59.85 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.14 9.47 27.01 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.65 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -54.61 -32.28 58.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.223 0.535 . . . . 0.0 110.192 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.86 -29.85 56.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.114 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.09 -44.9 24.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 109.663 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -53.02 -32.67 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.78 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.37 -48.91 54.11 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.467 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -70.2 -9.44 55.8 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.485 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 27.5 mt -103.2 -11.84 17.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.735 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.54 -22.4 34.99 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.161 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.63 -8.1 23.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.679 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 28' ' ' ASP . 13.7 t -65.17 -123.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.48 -37.22 6.38 Favored Glycine 0 C--N 1.316 -0.561 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.95 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.46 -33.48 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.39 8.1 66.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.843 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.69 -26.95 61.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.956 0.407 . . . . 0.0 110.701 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.35 -52.67 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -76.44 -21.72 55.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.675 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.29 -29.22 65.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.59 -37.49 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -30.84 70.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.37 -34.21 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.42 -31.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.56 -29.1 66.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.89 -28.49 67.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -80.68 -30.33 36.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.8 t -62.05 -31.0 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.935 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.811 0.338 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -79.26 151.94 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -27.53 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.72 -31.13 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -77.63 -30.43 52.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.393 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -91.56 -30.52 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.88 -37.06 23.63 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.27 -32.03 62.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 110.255 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -70.29 -29.92 66.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.814 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.98 -32.11 57.09 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.752 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.479 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.26 -58.46 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.17 0.509 . . . . 0.0 111.607 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -20.88 2.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.29 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.639 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -101.65 -58.27 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.05 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.639 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.0 -39.13 63.84 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.108 0.48 . . . . 0.0 110.26 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 26.1 t -84.3 -48.21 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.392 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.24 -45.59 90.58 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.0 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.41 -64.73 1.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.936 -0.649 . . . . 0.0 113.209 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -78.07 -37.06 47.46 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 15' ' ' VAL . . . -62.45 -14.69 50.13 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.458 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -86.0 -58.9 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.089 0.471 . . . . 0.0 110.948 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.1 mt -80.15 -12.68 59.63 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.12 9.64 29.17 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.552 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.22 -30.34 49.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.122 0.487 . . . . 0.0 110.329 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.34 -33.44 53.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.34 -43.55 27.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.491 0.662 . . . . 0.0 109.88 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.1 t -49.18 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.197 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.84 -50.2 45.06 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -73.05 -8.96 58.07 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.607 178.236 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 25.5 mt -103.18 -9.77 19.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.58 -32.38 28.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.104 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -88.7 -9.28 52.57 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.662 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.9 t -66.0 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.94 -27.11 43.61 Favored Glycine 0 C--N 1.314 -0.665 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.71 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -74.76 -30.16 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.26 6.74 81.05 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.884 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.96 -27.12 60.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.94 0.4 . . . . 0.0 110.749 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.51 -59.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -65.02 -21.88 66.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.554 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.8 -33.4 75.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.85 -38.13 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -29.73 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.86 -37.02 49.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.4 -33.06 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.61 -30.69 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.968 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.16 -29.65 70.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -86.1 -39.14 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.96 -32.23 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.842 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m 60.72 97.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.2 -29.01 57.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.58 -29.75 52.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.527 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -95.8 -29.8 14.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.051 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.76 -39.74 20.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.15 -31.38 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.565 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.52 -33.35 72.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.02 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.87 -32.07 57.37 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.003 -0.617 . . . . 0.0 111.859 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.4 -58.42 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.477 . . . . 0.0 111.72 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -54.46 -19.52 5.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.401 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.637 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -99.52 -58.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.137 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.637 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.05 -42.64 59.94 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.236 0.541 . . . . 0.0 109.917 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 9.3 t -84.53 -35.84 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.452 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.81 -31.03 77.12 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.097 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.94 -46.1 7.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.585 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -81.47 -39.45 24.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.89 -14.66 58.98 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.342 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -86.44 -58.98 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.131 0.491 . . . . 0.0 111.13 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.14 -12.22 59.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.57 9.66 26.05 Favored Glycine 0 N--CA 1.437 -1.262 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.684 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 29.8 tttp -55.0 -32.6 61.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.189 0.518 . . . . 0.0 110.315 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -50.54 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.284 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.24 -42.81 30.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.559 0.695 . . . . 0.0 109.968 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.483 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 42.7 t -56.62 -21.26 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.292 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -50.68 58.22 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -73.89 -8.87 57.7 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.664 178.445 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 18.2 mt -103.02 -6.9 21.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.906 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -39.73 21.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -12.5 59.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.625 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 28' ' ' ASP . 10.1 t -65.9 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.34 -24.29 67.33 Favored Glycine 0 C--N 1.312 -0.767 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.478 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -33.42 66.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.823 0.344 . . . . 0.0 110.709 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.86 -17.62 78.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.592 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -27.12 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.963 0.411 . . . . 0.0 110.692 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.0 t -70.72 -55.01 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.467 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -69.18 -21.9 63.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.485 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -36.72 81.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.6 -44.92 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -61.11 -31.13 70.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -38.29 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.51 -32.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.794 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -30.18 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.42 -30.18 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 m -82.87 -34.01 26.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.27 -31.65 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.873 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.77 158.73 43.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -36.79 84.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 tp -71.8 -21.14 61.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.45 -31.77 54.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 110.268 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -98.03 -29.68 13.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.03 -48.78 24.9 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.583 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp -74.36 -34.86 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.062 0.458 . . . . 0.0 110.354 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -70.33 -30.51 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.76 -32.0 57.67 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.861 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.4 -58.45 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.101 0.476 . . . . 0.0 111.608 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -54.83 -19.76 7.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.473 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.629 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.71 -58.24 2.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.105 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.629 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -73.91 -42.14 61.07 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.309 0.576 . . . . 0.0 109.984 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 6.4 t -84.49 -41.65 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.521 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.72 -35.37 85.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.403 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.85 -37.29 23.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.643 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.58 -46.94 16.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.82 -14.75 61.28 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 121.217 -0.516 . . . . 0.0 113.32 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -86.58 -59.08 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.142 0.496 . . . . 0.0 111.173 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mp -80.45 -11.73 59.64 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -113.44 10.04 24.13 Favored Glycine 0 N--CA 1.438 -1.208 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.637 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.81 -34.06 62.28 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.232 0.539 . . . . 0.0 110.067 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.5 -41.96 91.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.24 -44.15 26.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.511 0.672 . . . . 0.0 109.764 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.1 t -53.23 -25.56 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.122 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -53.21 17.07 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.42 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -75.8 -8.88 57.94 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.757 178.492 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 76.3 mt -103.2 -8.49 20.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.69 -33.81 27.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.939 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -86.95 -10.73 52.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.719 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 28' ' ' ASP . 11.1 t -65.81 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.05 -24.74 67.31 Favored Glycine 0 C--N 1.313 -0.701 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.535 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -65.19 -30.02 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.05 -15.56 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.677 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -26.98 60.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.921 0.391 . . . . 0.0 110.744 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.4 t -71.61 -59.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -62.17 -21.83 65.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.548 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.18 -42.15 98.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.85 -31.89 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -29.39 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.93 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.4 t -79.42 -32.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -67.07 -25.48 66.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.8 -35.0 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.52 -31.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -76.45 88.56 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -36.01 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.91 -29.09 62.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -77.56 -29.68 52.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 -29.58 13.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.022 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.87 -41.27 23.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.605 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tt -74.1 -31.36 62.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 110.388 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -35.93 78.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.95 -32.26 56.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.748 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.531 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.11 -40.35 65.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.978 0.418 . . . . 0.0 111.374 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -73.2 -18.35 61.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.949 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.659 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -103.59 -58.37 1.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.552 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.659 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.14 -44.42 53.77 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.112 0.482 . . . . 0.0 110.597 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 4.0 t -84.5 -38.95 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.761 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.12 -33.81 87.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.173 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.03 -30.88 40.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.436 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 1.6 tt -84.62 -46.52 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -66.93 -14.86 63.98 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.993 -0.548 . . . . 0.0 113.263 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -86.82 -59.02 2.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.234 0.54 . . . . 0.0 111.042 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.6 -11.06 59.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -114.1 6.28 23.54 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.813 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 21.8 tttp -52.14 -31.09 29.59 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.311 0.577 . . . . 0.0 110.052 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -58.92 -46.17 88.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.168 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.38 -46.58 19.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.45 0.643 . . . . 0.0 110.021 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 50.6 t -49.12 -30.31 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.443 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.55 -51.84 25.8 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' O ' HG21 ' A' ' 32' ' ' VAL . 3.7 m-20 -73.42 -8.69 56.93 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.724 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' ALA . 65.6 mt -102.98 -8.78 20.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.888 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -82.66 -30.21 29.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.126 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -9.01 42.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.786 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.5 t -65.71 -123.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.35 -27.17 57.68 Favored Glycine 0 C--N 1.315 -0.619 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.716 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -28.77 70.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.36 -20.76 26.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.554 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.93 -27.22 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.979 0.419 . . . . 0.0 110.642 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.89 -59.67 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.778 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -60.41 -21.92 62.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.696 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.9 -38.71 79.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -78.51 -33.51 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -61.27 -31.04 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.91 -35.15 59.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.51 -32.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.36 -30.47 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.2 -27.56 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -31.11 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.33 -30.46 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.788 0.328 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -119.22 113.53 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.97 -42.88 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.53 -23.29 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -77.47 -29.71 52.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.996 0.427 . . . . 0.0 110.426 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -99.01 -28.61 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.72 -42.39 21.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.669 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp -74.24 -33.62 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.043 0.449 . . . . 0.0 110.303 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.29 -23.8 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.79 -31.89 57.73 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.993 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.32 -58.44 3.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.103 0.478 . . . . 0.0 111.621 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -19.48 6.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.502 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.645 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.79 -58.22 2.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.151 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.645 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -73.97 -41.51 61.84 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.211 0.529 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 6.0 t -84.56 -39.3 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.449 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.43 -33.63 72.91 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.358 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.89 -43.49 9.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.648 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' GLY . 9.8 mp -85.6 -41.52 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.749 0.309 . . . . 0.0 111.127 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.59 -14.88 60.98 Favored Glycine 0 CA--C 1.521 0.443 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.211 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.73 -59.04 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 111.144 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.78 -12.41 59.78 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.74 9.92 25.65 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.704 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 7.3 tttt -55.2 -32.73 62.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.191 0.519 . . . . 0.0 110.243 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.72 -28.89 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.137 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.1 -43.97 27.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.521 0.677 . . . . 0.0 109.739 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -51.7 -29.27 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.074 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.72 -51.31 28.27 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.8 t70 -72.02 -9.74 58.8 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.536 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' HA ' HG23 ' A' ' 32' ' ' VAL . 91.3 mt -103.2 -10.41 18.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.854 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.65 -30.69 29.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.057 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -10.05 47.02 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.545 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.1 t -66.39 -123.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.87 -17.98 73.88 Favored Glycine 0 C--N 1.313 -0.704 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.612 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -75.13 -30.54 60.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.54 -10.98 49.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.813 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.96 60.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.932 0.396 . . . . 0.0 110.838 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.85 -59.75 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.726 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -66.68 -21.78 66.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.47 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.77 -43.19 80.41 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t -78.51 -38.06 21.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -60.29 -28.55 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.79 -39.28 57.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.4 t -79.43 -34.02 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -31.74 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.86 -23.91 38.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.1 m -85.46 -31.37 22.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.4 t -88.07 -31.6 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.908 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.778 0.323 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -170.16 94.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.7 -44.48 61.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -22.11 63.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.62 -29.7 51.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.429 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.9 -26.4 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.247 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.08 -43.91 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.735 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -31.4 62.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 0.0 110.57 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -63.07 -38.73 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.057 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.546 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.89 -32.34 57.0 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.739 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.79 -58.42 3.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.116 0.484 . . . . 0.0 111.613 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -18.67 13.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.75 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.64 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -93.45 -58.58 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.739 -179.228 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.64 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.47 -45.5 45.77 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.383 0.611 . . . . 0.0 109.875 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' GLY . 6.0 t -84.58 -44.6 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.75 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.79 -28.06 72.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.407 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.92 -58.88 2.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.704 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -85.76 -39.07 17.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.709 0.29 . . . . 0.0 111.455 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.83 -14.87 59.19 Favored Glycine 0 CA--C 1.521 0.458 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.675 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -86.59 -59.04 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.118 0.485 . . . . 0.0 111.247 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.4 mt -80.55 -11.95 59.59 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -113.27 11.51 24.16 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 114.081 -1.418 . . . . 0.0 110.628 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 14.6 tttm -56.12 -34.25 65.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.234 0.54 . . . . 0.0 109.95 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -33.46 75.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.749 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.25 -40.77 36.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.476 0.655 . . . . 0.0 109.779 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.42 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.4 t -48.95 -30.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.166 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.4 -50.04 42.78 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' ' 32' ' ' VAL . 2.7 t0 -71.88 -8.76 56.31 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.501 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 86.6 mt -102.98 -9.75 19.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.823 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.52 -29.22 30.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.094 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -92.28 -9.82 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.63 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.88 -123.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.54 -22.37 71.42 Favored Glycine 0 C--N 1.314 -0.655 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.61 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -75.24 -30.18 60.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.14 -7.02 80.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.823 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.8 -26.97 60.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.0 110.777 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 t -68.93 -59.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.6 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -63.2 -21.79 66.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.43 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.25 -31.03 70.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.52 -32.58 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -30.05 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -33.5 25.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 t -79.36 -31.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -29.93 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.9 p -82.61 -31.62 28.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.16 -32.15 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.913 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.836 0.35 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -118.16 43.12 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -72.66 -33.31 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -72.76 -23.56 60.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -31.44 53.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.312 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -97.64 -29.07 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.78 -44.82 30.1 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.541 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.39 -40.32 62.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.194 0.521 . . . . 0.0 110.038 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -70.47 -34.61 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -75.05 -31.94 57.1 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.838 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.14 -58.51 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.104 0.478 . . . . 0.0 111.512 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -51.59 -20.47 1.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.334 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.624 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -102.95 -58.43 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.624 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.01 -39.61 63.48 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.175 0.512 . . . . 0.0 110.287 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 33.1 t -84.36 -44.85 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.428 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.23 -41.05 99.38 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.82 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.17 -57.72 2.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.636 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.2 tt -68.75 -42.15 77.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.845 0.355 . . . . 0.0 111.265 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.46 -14.74 58.04 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.369 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.37 -59.1 2.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.117 0.484 . . . . 0.0 111.079 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.1 -12.49 59.67 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.42 10.6 26.25 Favored Glycine 0 N--CA 1.438 -1.217 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.714 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 4.2 ttpp -56.04 -33.36 64.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.203 0.525 . . . . 0.0 110.206 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.4 -31.03 65.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.986 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.24 -45.05 23.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.481 0.657 . . . . 0.0 109.772 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.7 t -51.27 -31.6 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.064 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -70.25 -50.01 44.14 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -71.48 -8.88 56.7 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.579 178.213 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 49.4 mt -103.11 -10.76 18.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.791 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.47 -26.96 32.16 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.209 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -9.57 34.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.588 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.8 t -65.91 -123.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.81 -25.84 23.9 Favored Glycine 0 C--N 1.315 -0.622 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.552 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -32.09 61.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.365 . . . . 0.0 110.797 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.72 -2.97 61.12 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.849 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.8 -27.04 60.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.955 0.407 . . . . 0.0 110.689 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.89 -59.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.628 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -63.13 -21.88 66.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.531 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -33.61 72.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -77.23 -31.18 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -37.84 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.1 t -79.52 -32.6 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.715 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.04 -30.12 67.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.16 -25.57 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -83.88 -30.71 26.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.98 -32.07 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.801 0.334 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.87 35.45 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 tt -66.3 -35.53 80.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -28.25 66.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.45 -29.69 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.406 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -30.31 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.033 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.84 -40.25 9.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.68 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -31.41 62.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.008 0.432 . . . . 0.0 110.438 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.86 -39.4 76.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.043 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.99 -32.23 56.93 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.837 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.62 -58.54 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.063 0.459 . . . . 0.0 111.681 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.28 -20.85 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.611 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.621 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -96.04 -58.38 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.141 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.14 -42.5 59.89 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.325 0.583 . . . . 0.0 109.976 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 5.6 t -84.66 -48.19 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.633 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.68 -43.29 52.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.02 -57.62 2.98 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.907 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 tp -85.74 -40.57 15.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.689 0.281 . . . . 0.0 111.713 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.59 -14.91 58.72 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.711 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -86.69 -59.12 2.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.156 0.503 . . . . 0.0 111.188 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.77 -12.57 59.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.88 11.35 25.05 Favored Glycine 0 N--CA 1.438 -1.196 0 CA-C-N 113.966 -1.47 . . . . 0.0 110.668 178.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 20.7 tttp -56.37 -34.57 66.78 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.178 0.514 . . . . 0.0 110.052 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.15 -35.71 77.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.778 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.24 -39.39 40.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.441 0.639 . . . . 0.0 109.822 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.441 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.2 t -51.46 -26.65 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.326 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.06 -52.95 16.54 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -75.69 -8.79 57.7 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.755 178.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 69.5 mt -103.26 -9.57 19.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -82.6 -28.24 30.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.108 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.42 -10.22 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.672 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 28' ' ' ASP . 11.3 t -65.58 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.11 -22.47 66.99 Favored Glycine 0 C--N 1.314 -0.694 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.555 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -63.13 -29.98 71.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.97 -14.03 56.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.721 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.89 -26.97 60.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.938 0.399 . . . . 0.0 110.77 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.28 -59.72 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -66.43 -21.74 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.466 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -33.59 75.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.29 -31.78 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -59.86 -30.64 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -37.88 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.37 -31.81 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.82 -30.36 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.24 -31.34 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.72 -31.63 28.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.65 -31.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.872 0.368 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -161.16 -176.03 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -36.98 81.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.5 mt -72.76 -32.58 65.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -30.96 53.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -90.38 -31.52 16.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.53 -38.35 24.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.546 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -74.21 -32.59 63.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.059 0.457 . . . . 0.0 110.303 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.34 -33.79 71.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.511 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.88 -32.1 57.31 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.081 -0.58 . . . . 0.0 111.859 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.41 -58.2 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.036 0.446 . . . . 0.0 111.615 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -55.85 -18.61 9.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.61 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.631 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.24 -58.34 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.631 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.17 -42.71 59.45 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.304 0.573 . . . . 0.0 109.89 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 3.7 t -84.56 -43.89 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.556 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.92 -37.69 63.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.89 -26.78 57.81 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 22.7 mt -85.65 -37.59 19.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 111.128 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -81.67 -15.14 76.48 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.106 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -86.79 -58.93 2.42 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.203 0.525 . . . . 0.0 110.958 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -80.25 -13.11 59.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.567 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -112.22 11.03 26.63 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.696 178.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -55.83 -32.78 63.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.132 0.491 . . . . 0.0 110.214 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.46 -37.28 62.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.037 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.23 -41.12 35.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.476 0.655 . . . . 0.0 109.717 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.7 t -52.51 -28.89 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.031 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -69.91 -50.73 39.3 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 m-20 -72.26 -8.9 57.37 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.538 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.1 mt -103.04 -8.45 20.57 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -36.22 26.17 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.53 -11.19 57.71 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.582 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 28' ' ' ASP . 10.7 t -66.18 -123.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.035 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.97 -18.03 75.98 Favored Glycine 0 C--N 1.313 -0.721 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.541 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -71.23 -34.81 71.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.383 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.08 -24.2 69.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.593 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.74 -26.99 60.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.754 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.52 -53.94 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.656 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -68.6 -21.82 64.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.55 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -59.95 -30.29 68.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.18 -42.83 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -68.85 -34.78 76.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.67 -39.95 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 t -79.32 -29.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.95 -28.62 52.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -65.15 -33.19 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -87.24 -36.31 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.21 -30.07 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.798 0.332 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -108.52 148.17 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.93 -26.18 65.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.77 -44.51 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 -29.74 52.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.601 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -87.22 -28.82 22.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.055 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -39.97 9.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.599 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -74.19 -31.39 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.391 . . . . 0.0 110.504 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.05 -25.29 67.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.141 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.524 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.8 -32.15 57.4 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.827 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.6 -58.45 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 0.0 111.596 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -55.66 -20.12 12.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.664 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.616 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -94.54 -58.5 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.063 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.21 -42.67 59.4 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.388 0.613 . . . . 0.0 109.805 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 3.6 t -84.6 -50.48 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.389 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.25 -33.61 87.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.39 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.05 -57.27 3.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.865 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -85.58 -41.73 15.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.689 0.281 . . . . 0.0 111.688 -179.349 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -63.56 -14.93 56.49 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.58 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -86.76 -59.04 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.095 0.474 . . . . 0.0 111.174 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.5 mt -79.48 -12.71 59.87 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.4 10.36 26.32 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.688 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 14.8 ttpt -56.21 -34.0 65.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.153 0.501 . . . . 0.0 110.246 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.01 -37.45 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.063 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.19 -42.58 31.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 109.812 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.5 t -50.86 -29.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.319 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.57 -51.31 29.31 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -73.98 -8.85 57.63 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.638 178.385 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 68.1 mt -103.29 -10.06 19.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.96 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.55 -29.59 30.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.088 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -91.39 -10.05 42.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.658 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.5 t -65.81 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.05 -18.46 74.66 Favored Glycine 0 C--N 1.314 -0.683 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.856 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -30.22 70.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.37 -20.56 48.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.622 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -27.01 60.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.8 t -67.27 -59.66 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.561 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -64.21 -21.78 66.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.326 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -35.26 78.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.87 -33.93 61.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -34.04 76.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -39.58 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 -32.21 14.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.78 -29.14 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.28 -30.11 69.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -83.88 -33.1 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.51 -34.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.893 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -166.59 175.77 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -28.26 69.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mt -72.67 -30.25 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.96 -29.63 49.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.193 0.521 . . . . 0.0 110.122 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -90.62 -32.23 16.34 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.03 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.3 -40.87 14.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.566 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -74.14 -31.34 62.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.538 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.47 -31.89 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.035 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.86 -32.16 57.27 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.865 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.69 -58.33 3.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.131 0.491 . . . . 0.0 111.663 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -57.96 -18.67 25.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.708 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.62 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -92.68 -58.49 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.803 -179.198 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.62 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.47 -43.74 54.71 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.377 0.608 . . . . 0.0 109.811 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 t -84.67 -54.96 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.667 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.6 -47.49 29.68 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.809 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.54 -27.6 73.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -85.68 -39.5 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.334 . . . . 0.0 111.075 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 23' ' ' LYS . . . -81.61 -15.14 76.61 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.11 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -86.87 -59.04 2.37 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.254 0.549 . . . . 0.0 110.988 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.02 -13.11 59.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.558 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -112.91 12.24 24.76 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.119 -1.401 . . . . 0.0 110.757 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -57.71 -34.9 69.96 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.234 0.54 . . . . 0.0 110.219 -179.747 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.68 -37.28 75.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.132 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.3 -46.6 19.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.536 0.684 . . . . 0.0 109.887 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 53.4 t -51.86 -30.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.186 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.44 -51.23 30.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -72.79 -8.99 58.12 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.636 178.388 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 43.5 mt -103.27 -9.87 19.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.913 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -30.2 29.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.075 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -91.24 -9.77 44.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.73 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.97 -123.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.36 -28.1 64.12 Favored Glycine 0 C--N 1.313 -0.714 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -75.28 -31.35 60.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.96 -6.14 87.04 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.856 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.95 60.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.27 -49.32 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.487 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -72.43 -21.82 61.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.491 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.34 -31.15 67.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.07 -36.82 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.89 -33.8 72.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.82 -35.76 64.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.1 t -79.41 -32.23 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -29.8 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -29.37 67.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -84.19 -30.76 25.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 t -79.27 -31.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.822 0.344 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.55 173.06 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.68 -29.5 70.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.69 -30.44 64.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -29.7 52.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.451 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -32.42 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.016 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.19 -43.02 22.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.55 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.12 -31.42 62.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.8 -40.6 93.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.988 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.494 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.86 -32.2 57.22 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.841 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.52 -58.49 3.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.149 0.5 . . . . 0.0 111.602 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -56.1 -19.01 11.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.532 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.642 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -97.65 -58.34 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.219 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.642 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.19 -42.87 59.14 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.292 0.568 . . . . 0.0 109.888 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 4.1 t -84.69 -41.02 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.477 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.21 -34.51 88.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.89 -37.3 22.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.641 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -85.69 -44.89 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 111.246 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -66.75 -14.92 63.67 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.08 -0.581 . . . . 0.0 113.412 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -86.78 -59.06 2.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.181 0.515 . . . . 0.0 111.022 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.1 mt -79.15 -12.95 59.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -112.18 9.09 26.95 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.052 -1.431 . . . . 0.0 110.777 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 2.5 ttpt -55.18 -31.84 61.7 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.25 0.548 . . . . 0.0 110.306 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -28.31 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.225 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.92 -43.46 29.88 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.479 0.657 . . . . 0.0 109.64 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -53.12 -32.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.849 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.32 -49.63 47.45 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.6 t0 -70.62 -9.39 56.85 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.538 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 32.6 mt -103.12 -11.47 18.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.604 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.59 -17.4 44.92 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.235 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -107.33 -7.99 16.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 28' ' ' ASP . 12.1 t -65.43 -123.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.44 -31.71 43.98 Favored Glycine 0 C--N 1.315 -0.592 0 C-N-CA 121.39 -0.433 . . . . 0.0 113.033 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -34.3 74.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.13 7.75 44.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.784 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.79 -27.01 60.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.979 0.419 . . . . 0.0 110.787 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.93 -59.68 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.664 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -62.82 -21.83 66.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.496 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.4 -30.79 70.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t -75.55 -35.52 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.077 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -61.7 -31.24 71.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.46 -37.3 51.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -79.32 -31.23 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.13 -29.33 69.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.27 -40.61 86.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.4 m -85.56 -37.26 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 t -64.1 -30.81 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.94 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.47 151.67 29.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.9 -28.75 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.4 -26.66 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.059 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -77.51 -29.74 52.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.979 0.418 . . . . 0.0 110.345 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.28 -28.79 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.15 -38.93 17.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.699 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.42 -38.77 62.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.113 0.482 . . . . 0.0 110.086 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -70.39 -36.25 73.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.9 -32.06 57.31 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.88 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.08 -58.56 3.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.115 0.484 . . . . 0.0 111.57 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -51.08 -20.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.159 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.634 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -103.9 -58.02 1.94 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.066 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.634 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -73.84 -39.48 63.99 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.134 0.493 . . . . 0.0 110.292 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 47.2 t -84.41 -43.87 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.396 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.6 -40.52 66.66 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.893 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.18 -60.54 2.37 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.809 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.4 mp -85.65 -40.92 15.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 0.0 111.643 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -61.96 -14.72 46.75 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.377 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -86.29 -59.02 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.116 0.484 . . . . 0.0 111.078 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.08 -12.62 59.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.45 8.68 28.47 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 113.945 -1.48 . . . . 0.0 110.708 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.4 -29.72 49.85 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.078 0.466 . . . . 0.0 110.408 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -31.02 40.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.006 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.21 -42.94 29.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 109.602 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.2 t -53.52 -27.14 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.13 -51.35 32.17 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.21 -8.86 57.64 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.642 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 55.9 mt -103.28 -10.11 18.98 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.889 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -82.57 -28.87 30.66 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.126 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -92.61 -9.59 40.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.681 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.7 t -65.89 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.007 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.33 -30.47 55.28 Favored Glycine 0 C--N 1.315 -0.608 0 C-N-CA 121.279 -0.486 . . . . 0.0 112.684 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -74.08 -28.77 61.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.85 7.84 80.96 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.751 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.76 -26.97 60.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.801 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.1 t -70.0 -56.32 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.619 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.37 -21.84 63.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.554 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.09 -34.3 77.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.56 -32.67 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -60.27 -30.62 69.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -75.77 -37.12 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.4 -31.77 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -30.01 70.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.62 -31.34 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -31.45 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.1 t -61.9 -30.27 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.821 0.343 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.37 86.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -30.56 58.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.76 -31.47 64.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.65 -30.22 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.475 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -93.25 -28.7 16.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.08 -35.69 20.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.68 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tt -74.13 -32.06 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.317 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -70.25 -39.34 75.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.785 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -75.14 -32.08 56.64 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.74 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.24 -58.56 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.076 0.465 . . . . 0.0 111.604 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -22.03 1.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.298 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.62 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -100.25 -58.55 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.62 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.22 -40.36 62.49 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 110.402 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 29.2 t -84.33 -44.67 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.709 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.55 -40.52 94.24 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.117 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.15 -64.5 1.85 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.943 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.7 tp -85.6 -38.47 18.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.701 0.286 . . . . 0.0 111.637 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -63.62 -14.81 56.15 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 121.144 -0.55 . . . . 0.0 113.497 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -86.46 -58.97 2.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.168 0.508 . . . . 0.0 111.114 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 pp -80.6 -11.13 59.69 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.9 6.52 25.68 Favored Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.628 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -52.05 -27.74 14.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.161 0.505 . . . . 0.0 110.208 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -53.27 -34.58 57.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.201 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.32 32.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 109.78 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.0 t -52.7 -28.76 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.008 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.77 -50.22 45.39 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' O ' HG22 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -71.69 -8.86 56.78 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.517 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 44.1 mt -103.17 -9.68 19.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.812 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -28.87 30.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.094 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.18 -9.24 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.658 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -66.01 -123.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.85 -15.7 76.1 Favored Glycine 0 C--N 1.314 -0.666 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.798 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -29.18 65.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.34 -22.13 42.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.652 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.06 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.774 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.94 -59.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 11.7 t60 -61.92 -21.78 65.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.367 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -39.37 85.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.48 -33.13 16.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -60.34 -31.1 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.23 -36.05 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 t -79.41 -31.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.3 -28.93 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.78 -25.92 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.24 -30.71 23.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.16 -34.52 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.946 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.8 0.333 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.4 129.86 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.41 -31.08 65.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.17 -26.51 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.52 -29.62 52.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.486 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -97.28 -26.45 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.61 -45.9 7.63 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.884 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -31.34 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.723 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.19 -41.06 87.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.001 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.502 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -75.11 -32.3 56.44 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.834 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.67 -58.55 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.156 0.503 . . . . 0.0 111.712 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -20.88 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.497 -179.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.639 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.77 -58.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -178.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.639 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.25 -41.23 61.62 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.272 0.558 . . . . 0.0 110.18 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 15.9 t -84.41 -46.34 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.633 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.68 -43.14 60.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.401 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.08 -54.17 3.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.031 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -85.6 -41.47 15.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.681 0.277 . . . . 0.0 111.744 -179.292 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.2 -14.77 57.46 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.568 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -86.49 -59.03 2.39 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.089 0.471 . . . . 0.0 111.196 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mt -80.5 -11.9 59.61 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -113.24 11.13 24.31 Favored Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.721 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -56.26 -34.05 66.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.241 0.543 . . . . 0.0 110.107 -179.764 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.48 -37.06 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.19 -43.74 27.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.453 0.644 . . . . 0.0 109.826 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.42 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.8 t -52.04 -29.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.084 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.4 -51.35 30.26 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.36 -8.88 57.74 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.656 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 42.0 mt -103.31 -10.41 18.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.864 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -82.52 -27.59 31.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.138 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -94.12 -9.63 35.9 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.677 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.93 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.42 -24.89 68.05 Favored Glycine 0 C--N 1.313 -0.74 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.586 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -30.1 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.5 -22.19 51.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.578 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.95 -26.98 60.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.968 0.413 . . . . 0.0 110.772 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.0 t -70.07 -59.64 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.713 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 11.3 t60 -65.89 -21.86 66.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.539 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.52 -32.76 69.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.59 -35.29 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -38.06 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.4 -33.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.28 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -29.0 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -35.28 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.32 -31.49 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.907 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.829 0.347 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -129.98 126.41 37.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tt -77.14 -32.79 56.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.69 -23.82 60.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.57 -29.67 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.408 . . . . 0.0 110.395 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -98.9 -28.55 13.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.57 -42.96 20.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.595 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.19 -31.41 62.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.998 0.428 . . . . 0.0 110.435 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -31.86 69.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.94 -32.08 57.2 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.836 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.42 -58.49 3.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.066 0.46 . . . . 0.0 111.691 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -52.9 -20.39 3.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.563 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.631 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -99.36 -58.43 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.048 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.631 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.18 -41.33 61.62 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.223 0.535 . . . . 0.0 110.069 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 12.3 t -84.45 -44.16 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.517 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.07 -39.35 94.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.206 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.06 -47.35 7.12 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.596 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.8 tp -70.4 -46.45 63.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.37 -14.78 60.31 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.279 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -86.46 -58.97 2.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.145 0.498 . . . . 0.0 110.964 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.4 -13.31 59.69 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.13 9.93 29.14 Favored Glycine 0 N--CA 1.438 -1.207 0 CA-C-N 113.973 -1.467 . . . . 0.0 110.633 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -55.14 -31.6 61.44 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.107 0.479 . . . . 0.0 110.382 -179.725 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.33 -41.48 65.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.114 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.19 -39.27 41.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.6 t -52.82 -28.39 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.197 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.19 -51.58 29.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' O ' HG21 ' A' ' 32' ' ' VAL . 3.1 t70 -73.62 -8.81 57.45 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.645 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 19.7 mt -103.22 -7.33 21.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.914 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.21 22.44 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -10.74 59.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.671 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 28' ' ' ASP . 11.5 t -65.69 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.61 -14.54 81.12 Favored Glycine 0 C--N 1.313 -0.717 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.693 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -73.46 -30.9 63.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.82 -11.06 31.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.757 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.83 -26.86 60.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.84 -56.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -67.05 -21.81 65.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.493 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -67.35 -36.86 82.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 t -62.64 -50.88 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -61.66 -30.63 70.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.94 -42.14 81.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.41 -31.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -29.93 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -27.39 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.75 -30.65 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.98 -33.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.894 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.851 0.357 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.61 128.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -77.88 -32.57 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.09 -27.4 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -77.54 -29.6 52.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.503 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -94.91 -30.87 13.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.08 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.56 -40.85 21.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.59 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -31.41 62.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.523 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -30.66 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.018 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.79 -32.26 57.29 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.822 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.57 -58.36 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.118 0.485 . . . . 0.0 111.603 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -18.67 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.562 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.626 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -97.09 -58.32 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.192 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.626 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.13 -42.61 59.73 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.34 0.59 . . . . 0.0 109.902 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 11' ' ' ALA . 3.2 t -84.65 -47.66 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.558 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.9 -36.05 41.23 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.664 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.71 -33.41 60.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.393 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.569 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -85.68 -32.61 21.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -81.48 -15.01 77.24 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 121.049 -0.596 . . . . 0.0 113.035 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -86.43 -58.98 2.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.201 0.524 . . . . 0.0 110.816 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.52 -14.78 58.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -109.46 10.09 33.04 Favored Glycine 0 N--CA 1.437 -1.238 0 CA-C-N 114.068 -1.423 . . . . 0.0 110.629 177.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.11 -29.95 46.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.157 0.503 . . . . 0.0 110.295 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.31 -32.21 47.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.04 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.22 -47.75 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 109.656 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.07 -31.11 24.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.769 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.91 -49.92 40.45 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -70.03 -10.67 59.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.46 178.218 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 34.5 mt -103.23 -11.82 17.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.844 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.49 -27.72 31.61 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.09 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -93.05 -9.31 40.14 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.604 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 28' ' ' ASP . 12.0 t -66.26 -123.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.11 -33.69 38.07 Favored Glycine 0 C--N 1.314 -0.647 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.593 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -75.26 -29.32 60.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.22 7.82 76.64 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.982 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -27.31 61.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.954 0.406 . . . . 0.0 110.587 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 t -75.98 -53.62 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.562 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -65.94 -21.81 66.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.599 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -31.72 67.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.57 -32.93 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -34.12 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.25 -39.26 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.36 -31.38 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.945 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.93 -29.87 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -29.68 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -82.0 -30.97 31.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.1 t -65.29 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.44 0.638 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 41.3 t -50.98 -30.59 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.031 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.32 -49.96 44.07 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.29 -8.86 57.17 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.546 178.258 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 16.4 mt -103.13 -9.99 19.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.811 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.59 -25.95 32.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.78 -8.93 29.92 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.778 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.3 t -65.47 -123.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.316 -0.565 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.93 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.855 0.359 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.25 -30.54 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.4 -39.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.38 -31.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.973 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.35 -30.04 71.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -28.48 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -81.91 -30.65 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.39 -31.2 52.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.281 0 CA-C-O 121.462 0.648 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.445 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.4 t -51.74 -30.65 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.074 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -70.44 -50.63 36.32 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.5 t0 -72.35 -9.02 57.97 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.585 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.3 mt -103.28 -10.68 18.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.828 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.49 -28.13 31.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.11 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.76 -8.79 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.62 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.1 t -65.96 -123.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.59 0 C-N-CA 121.427 -0.416 . . . . 0.0 112.898 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.47 -31.08 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -37.69 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.36 -31.83 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.89 -30.5 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.3 p -83.42 -31.55 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.9 t -69.67 -29.94 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.894 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.518 0.675 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -53.02 -32.67 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.78 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.37 -48.91 54.11 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -70.2 -9.44 55.8 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.485 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HA ' HG23 ' A' ' 32' ' ' VAL . 27.5 mt -103.2 -11.84 17.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.735 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.54 -22.4 34.99 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.161 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.63 -8.1 23.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.679 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 33' ' ' GLY . 13.7 t -65.17 -123.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.488 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.316 -0.561 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.95 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -30.84 70.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.37 -34.21 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.42 -31.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.56 -29.1 66.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.89 -28.49 67.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -80.68 -30.33 36.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 43' ' ' VAL . 34.8 t -62.05 -31.0 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.561 ' OXT' HD23 ' A' ' 48' ' ' LEU . 8.9 tt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 121.491 0.662 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.479 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.1 t -49.18 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.197 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.84 -50.2 45.06 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -73.05 -8.96 58.07 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.607 178.236 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 25.5 mt -103.18 -9.77 19.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.58 -32.38 28.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.104 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -88.7 -9.28 52.57 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.662 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.9 t -66.0 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.665 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.71 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.351 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -29.73 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.86 -37.02 49.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.2 t -79.4 -33.06 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.61 -30.69 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.968 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.16 -29.65 70.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -86.1 -39.14 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -60.96 -32.23 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 47' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.275 0 CA-C-O 121.559 0.695 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 42.7 t -56.62 -21.26 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.292 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -50.68 58.22 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -73.89 -8.87 57.7 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.664 178.445 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 18.2 mt -103.02 -6.9 21.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.906 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -39.73 21.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -12.5 59.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.625 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 33' ' ' GLY . 10.1 t -65.9 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.312 -0.767 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.478 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.927 0.394 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -61.11 -31.13 70.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -38.29 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.51 -32.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.794 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -30.18 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.42 -30.18 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 m -82.87 -34.01 26.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.27 -31.65 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.873 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.248 0 CA-C-O 121.511 0.672 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.1 t -53.23 -25.56 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.122 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -53.21 17.07 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -75.8 -8.88 57.94 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.757 178.492 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 76.3 mt -103.2 -8.49 20.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.69 -33.81 27.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.939 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -86.95 -10.73 52.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.719 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.1 t -65.81 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.701 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.535 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.833 0.349 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -29.39 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.93 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.4 t -79.42 -32.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -67.07 -25.48 66.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.8 -35.0 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.9 t -77.52 -31.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.45 0.643 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 50.6 t -49.12 -30.31 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.443 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.55 -51.84 25.8 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 m-20 -73.42 -8.69 56.93 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.724 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 65.6 mt -102.98 -8.78 20.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.888 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -82.66 -30.21 29.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.126 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -9.01 42.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.786 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.71 -123.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.619 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.716 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 HD13 ' A' ' 44' ' ' LEU . 28.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.817 0.341 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -61.27 -31.04 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.91 -35.15 59.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.7 t -79.51 -32.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -74.36 -30.47 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.2 -27.56 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -31.11 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -77.33 -30.46 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 121.521 0.677 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.5 t -51.7 -29.27 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.074 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.72 -51.31 28.27 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.8 t70 -72.02 -9.74 58.8 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.536 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 91.3 mt -103.2 -10.41 18.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.854 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.65 -30.69 29.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.057 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -10.05 47.02 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.545 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.1 t -66.39 -123.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.704 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.612 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -60.29 -28.55 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.79 -39.28 57.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.4 t -79.43 -34.02 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -31.74 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.86 -23.91 38.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.1 m -85.46 -31.37 22.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 43' ' ' VAL . 23.4 t -88.07 -31.6 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.908 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.476 0.655 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.46 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.4 t -48.95 -30.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.166 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.4 -50.04 42.78 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.7 t0 -71.88 -8.76 56.31 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.501 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 86.6 mt -102.98 -9.75 19.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.823 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.52 -29.22 30.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.094 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -92.28 -9.82 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.63 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.88 -123.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.655 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.61 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -30.05 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -33.5 25.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 47' ' ' VAL . 28.8 t -79.36 -31.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -29.93 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.9 p -82.61 -31.62 28.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.5 t -65.16 -32.15 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.913 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.481 0.657 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.7 t -51.27 -31.6 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.064 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -70.25 -50.01 44.14 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -71.48 -8.88 56.7 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.579 178.213 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 49.4 mt -103.11 -10.76 18.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.791 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.47 -26.96 32.16 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.209 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -9.57 34.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.588 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.8 t -65.91 -123.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.622 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.552 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.777 0.322 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -37.84 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.1 t -79.52 -32.6 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.715 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.04 -30.12 67.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.16 -25.57 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -83.88 -30.71 26.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.7 t -78.98 -32.07 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.441 0.639 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.568 HG12 ' OE1' ' A' ' 30' ' ' GLU . 51.2 t -51.46 -26.65 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.326 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.06 -52.95 16.54 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -75.69 -8.79 57.7 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.755 178.564 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 69.5 mt -103.26 -9.57 19.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' OE1' HG12 ' A' ' 26' ' ' VAL . 4.3 mt-10 -82.6 -28.24 30.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.108 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.42 -10.22 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.672 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.3 t -65.58 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.694 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.555 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -59.86 -30.64 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -37.88 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.37 -31.81 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.82 -30.36 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.24 -31.34 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.72 -31.63 28.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.65 -31.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.476 0.655 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.7 t -52.51 -28.89 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.031 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -69.91 -50.73 39.3 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.8 m-20 -72.26 -8.9 57.37 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.538 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.1 mt -103.04 -8.45 20.57 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -36.22 26.17 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.53 -11.19 57.71 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.582 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 33' ' ' GLY . 10.7 t -66.18 -123.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.035 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.721 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.541 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.853 0.359 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -68.85 -34.78 76.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.67 -39.95 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.9 t -79.32 -29.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.5 tp -54.95 -28.62 52.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -65.15 -33.19 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -87.24 -36.31 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.5 t -59.21 -30.07 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.519 0.676 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.5 t -50.86 -29.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.319 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.57 -51.31 29.31 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -73.98 -8.85 57.63 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.638 178.385 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 68.1 mt -103.29 -10.06 19.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.96 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.55 -29.59 30.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.088 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -91.39 -10.05 42.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.658 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.81 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.683 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.856 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.823 0.344 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -34.04 76.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -39.58 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 -32.21 14.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.78 -29.14 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.28 -30.11 69.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -83.88 -33.1 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.51 -34.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.281 0 CA-C-O 121.536 0.684 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 53.4 t -51.86 -30.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.186 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.44 -51.23 30.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -72.79 -8.99 58.12 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.636 178.388 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 43.5 mt -103.27 -9.87 19.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.913 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -30.2 29.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.075 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -91.24 -9.77 44.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.73 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -65.97 -123.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.714 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.89 -33.8 72.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.82 -35.76 64.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 47' ' ' VAL . 27.1 t -79.41 -32.23 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -29.8 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -29.37 67.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -84.19 -30.76 25.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.3 t -79.27 -31.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.298 0 CA-C-O 121.479 0.657 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -53.12 -32.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.849 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.32 -49.63 47.45 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.6 t0 -70.62 -9.39 56.85 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.538 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.489 ' HA ' HG23 ' A' ' 32' ' ' VAL . 32.6 mt -103.12 -11.47 18.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.604 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.59 -17.4 44.92 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.235 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -107.33 -7.99 16.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 29' ' ' LEU . 12.1 t -65.43 -123.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.592 0 C-N-CA 121.39 -0.433 . . . . 0.0 113.033 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -61.7 -31.24 71.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.46 -37.3 51.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 t -79.32 -31.23 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.13 -29.33 69.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.27 -40.61 86.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.4 m -85.56 -37.26 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.2 t -64.1 -30.81 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.94 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 121.572 0.701 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.2 t -53.52 -27.14 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.13 -51.35 32.17 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.21 -8.86 57.64 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.642 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 55.9 mt -103.28 -10.11 18.98 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.889 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -82.57 -28.87 30.66 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.126 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -92.61 -9.59 40.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.681 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.7 t -65.89 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.007 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.608 0 C-N-CA 121.279 -0.486 . . . . 0.0 112.684 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.817 0.341 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -60.27 -30.62 69.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -75.77 -37.12 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.4 -31.77 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -30.01 70.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.62 -31.34 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -31.45 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' VAL . 31.1 t -61.9 -30.27 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.441 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.0 t -52.7 -28.76 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.008 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.77 -50.22 45.39 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -71.69 -8.86 56.78 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.517 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 44.1 mt -103.17 -9.68 19.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.812 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -28.87 30.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.094 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.18 -9.24 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.658 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -66.01 -123.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.666 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.798 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.828 0.346 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -60.34 -31.1 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.23 -36.05 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 t -79.41 -31.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.3 -28.93 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.78 -25.92 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.24 -30.71 23.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.16 -34.52 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.946 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 121.453 0.644 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.8 t -52.04 -29.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.084 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.4 -51.35 30.26 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.36 -8.88 57.74 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.656 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 42.0 mt -103.31 -10.41 18.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.864 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -82.52 -27.59 31.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.138 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -94.12 -9.63 35.9 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.677 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -65.93 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.74 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.586 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -38.06 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.4 -33.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.28 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -29.0 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -35.28 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -63.32 -31.49 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.907 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.483 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.6 t -52.82 -28.39 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.197 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.19 -51.58 29.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.1 t70 -73.62 -8.81 57.45 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.645 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 19.7 mt -103.22 -7.33 21.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.914 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.21 22.44 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -10.74 59.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.671 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.69 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.717 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.693 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 t . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.982 0.42 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -61.66 -30.63 70.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.94 -42.14 81.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.9 t -79.41 -31.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -29.93 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -27.39 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.75 -30.65 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -77.98 -33.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.894 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.07 -31.11 24.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.769 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.91 -49.92 40.45 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -70.03 -10.67 59.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.46 178.218 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.5 mt -103.23 -11.82 17.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.844 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.49 -27.72 31.61 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.09 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -93.05 -9.31 40.14 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.604 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.0 t -66.26 -123.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.647 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.593 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.879 0.371 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -34.12 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.25 -39.26 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.6 t -79.36 -31.38 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 44' ' ' LEU . 1.3 tt -59.93 -29.87 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -29.68 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -82.0 -30.97 31.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 43' ' ' VAL . 29.1 t -65.29 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t -101.38 153.55 19.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.89 -32.58 59.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -72.87 -28.5 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -77.54 -30.02 52.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.548 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.11 -24.55 15.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.13 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.39 -46.15 8.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.656 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.18 -33.68 63.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.027 0.441 . . . . 0.0 110.279 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.37 -29.76 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.9 -32.01 57.37 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.875 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.671 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.29 -58.46 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.105 0.479 . . . . 0.0 111.658 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -52.66 -20.31 3.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.428 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -100.27 -58.28 1.94 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.102 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.16 -40.92 62.25 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.228 0.537 . . . . 0.0 110.189 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.671 HG23 ' HA ' ' A' ' 11' ' ' ALA . 16.9 t -84.43 -42.63 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.508 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.26 96.41 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.975 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.1 -46.3 7.71 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.499 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 22' ' ' GLY . 4.6 tp -75.45 -42.64 52.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.58 -14.75 58.36 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.232 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -86.48 -59.07 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.127 0.489 . . . . 0.0 111.052 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.66 -12.69 59.81 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.8 8.68 27.76 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 113.976 -1.465 . . . . 0.0 110.725 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -54.42 -30.24 51.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.204 0.526 . . . . 0.0 110.227 -179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -56.77 -27.04 58.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.1 -41.19 35.95 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.44 0.638 . . . . 0.0 109.886 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 41.3 t -50.98 -30.59 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.031 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.32 -49.96 44.07 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.29 -8.86 57.17 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.546 178.258 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 16.4 mt -103.13 -9.99 19.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.811 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.59 -25.95 32.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.78 -8.93 29.92 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.778 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.3 t -65.47 -123.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -47.03 -34.46 7.6 Favored Glycine 0 C--N 1.316 -0.565 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.93 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -68.98 -28.91 67.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.9 -11.4 53.28 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.764 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.78 -27.03 60.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 110.695 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.71 -58.12 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -68.0 -21.87 65.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.583 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.73 -40.1 94.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 36' ' ' ALA . 25.3 t -78.52 -32.09 16.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.25 -30.54 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.4 -39.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.38 -31.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.973 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.35 -30.04 71.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -28.48 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -81.91 -30.65 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.39 -31.2 52.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 175.87 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.28 -42.48 62.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.8 mt -72.77 -23.12 60.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.032 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -77.58 -30.8 52.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.398 . . . . 0.0 110.313 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -100.04 -26.52 13.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.65 -48.33 13.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.773 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.16 -31.74 62.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 0.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.35 -37.14 74.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.86 -32.04 57.41 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 121.058 -0.592 . . . . 0.0 111.82 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.67 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.39 -58.53 3.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.117 0.484 . . . . 0.0 111.594 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -55.23 -19.42 8.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.346 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -99.25 -58.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.12 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.587 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.03 -42.43 60.32 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.218 0.532 . . . . 0.0 109.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG23 ' HA ' ' A' ' 11' ' ' ALA . 6.8 t -84.6 -38.51 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.377 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.69 -33.24 86.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.212 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.88 -37.71 21.78 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.472 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 14' ' ' ALA . 3.6 mp -81.63 -44.48 17.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -67.08 -14.73 64.11 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.04 -0.527 . . . . 0.0 113.221 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -86.46 -58.93 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.155 0.502 . . . . 0.0 111.018 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.9 -12.57 59.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.56 10.51 25.94 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.71 178.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -55.66 -33.3 63.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.148 0.499 . . . . 0.0 110.169 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.37 -29.65 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.19 -43.6 28.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.462 0.648 . . . . 0.0 109.836 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.445 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.4 t -51.74 -30.65 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.074 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -70.44 -50.63 36.32 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.5 t0 -72.35 -9.02 57.97 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.585 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.3 mt -103.28 -10.68 18.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.828 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.49 -28.13 31.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.11 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.76 -8.79 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.62 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.1 t -65.96 -123.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -48.91 -33.34 13.08 Favored Glycine 0 C--N 1.315 -0.59 0 C-N-CA 121.427 -0.416 . . . . 0.0 112.898 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -63.71 -28.58 69.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.55 -15.6 34.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.716 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.84 -27.1 60.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.792 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 33' ' ' GLY . 32.0 t -72.1 -59.73 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.752 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -63.64 -21.83 66.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.61 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.43 -34.96 75.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 36' ' ' ALA . 27.7 t -78.53 -32.85 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.47 -31.08 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -37.69 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.36 -31.83 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.89 -30.5 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.3 p -83.42 -31.55 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.9 t -69.67 -29.94 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.894 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.831 0.348 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -87.41 109.43 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -77.92 -35.5 50.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.92 -25.52 61.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.6 -30.19 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 0.0 110.476 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.99 -24.84 14.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.282 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.51 -43.92 11.68 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.926 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' HD2' ' A' ' 12' ' ' LYS . 3.8 mm? -73.97 -31.37 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.691 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -48.35 81.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.022 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.96 -32.11 57.13 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.1 -0.571 . . . . 0.0 111.86 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.669 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.47 -58.53 3.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.063 0.459 . . . . 0.0 111.754 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HD2' HD12 ' A' ' 8' ' ' LEU . 12.6 mttt -54.64 -19.97 7.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.521 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -97.75 -58.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.079 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.619 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.04 -42.32 60.47 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.25 0.548 . . . . 0.0 109.945 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.669 HG23 ' HA ' ' A' ' 11' ' ' ALA . 5.9 t -84.52 -43.1 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.5 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.61 -37.47 93.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.94 -32.67 35.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.627 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 22' ' ' GLY . 18.4 mt -82.66 -46.4 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 111.06 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.7 -14.87 61.2 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.239 -0.505 . . . . 0.0 113.311 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -86.53 -59.04 2.39 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.113 0.482 . . . . 0.0 111.032 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.55 -12.68 59.85 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.14 9.47 27.01 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.65 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -54.61 -32.28 58.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.223 0.535 . . . . 0.0 110.192 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.86 -29.85 56.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.114 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.09 -44.9 24.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 109.663 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -53.02 -32.67 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.78 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.37 -48.91 54.11 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -70.2 -9.44 55.8 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.485 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HA ' HG23 ' A' ' 32' ' ' VAL . 27.5 mt -103.2 -11.84 17.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.735 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.54 -22.4 34.99 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.161 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.63 -8.1 23.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.679 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 33' ' ' GLY . 13.7 t -65.17 -123.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -45.48 -37.22 6.38 Favored Glycine 0 C--N 1.316 -0.561 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.95 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.46 -33.48 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.39 8.1 66.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.843 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.69 -26.95 61.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.956 0.407 . . . . 0.0 110.701 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.35 -52.67 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -76.44 -21.72 55.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.675 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.3 m-20 -58.29 -29.22 65.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.59 -37.49 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -30.84 70.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.37 -34.21 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.42 -31.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.56 -29.1 66.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.89 -28.49 67.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -80.68 -30.33 36.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 43' ' ' VAL . 34.8 t -62.05 -31.0 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.561 HD23 ' OXT' ' A' ' 48' ' ' LEU . 8.9 tt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.811 0.338 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -79.26 151.94 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -59.93 -27.53 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.72 -31.13 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -77.63 -30.43 52.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.393 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -91.56 -30.52 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.88 -37.06 23.63 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.27 -32.03 62.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 110.255 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -70.29 -29.92 66.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.814 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.98 -32.11 57.09 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.752 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.674 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.26 -58.46 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.17 0.509 . . . . 0.0 111.607 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -20.88 2.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.29 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -101.65 -58.27 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.05 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.593 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.0 -39.13 63.84 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.108 0.48 . . . . 0.0 110.26 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 11' ' ' ALA . 26.1 t -84.3 -48.21 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.392 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.24 -45.59 90.58 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.0 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.41 -64.73 1.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.936 -0.649 . . . . 0.0 113.209 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -78.07 -37.06 47.46 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.036 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 15' ' ' VAL . . . -62.45 -14.69 50.13 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.458 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -86.0 -58.9 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.089 0.471 . . . . 0.0 110.948 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.1 mt -80.15 -12.68 59.63 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.12 9.64 29.17 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.552 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.22 -30.34 49.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.122 0.487 . . . . 0.0 110.329 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.34 -33.44 53.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.34 -43.55 27.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.491 0.662 . . . . 0.0 109.88 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.479 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.1 t -49.18 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.197 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.84 -50.2 45.06 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -73.05 -8.96 58.07 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.607 178.236 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 25.5 mt -103.18 -9.77 19.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.58 -32.38 28.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.104 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -88.7 -9.28 52.57 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.662 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.9 t -66.0 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -54.94 -27.11 43.61 Favored Glycine 0 C--N 1.314 -0.665 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.71 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -74.76 -30.16 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.26 6.74 81.05 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.884 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.96 -27.12 60.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.94 0.4 . . . . 0.0 110.749 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.51 -59.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -65.02 -21.88 66.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.554 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.1 m-20 -64.8 -33.4 75.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.5 t -75.85 -38.13 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -29.73 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.86 -37.02 49.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.2 t -79.4 -33.06 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.61 -30.69 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.968 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.16 -29.65 70.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -86.1 -39.14 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -60.96 -32.23 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 47' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m 60.72 97.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.2 -29.01 57.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.58 -29.75 52.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.527 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -95.8 -29.8 14.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.051 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.76 -39.74 20.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.15 -31.38 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.565 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.52 -33.35 72.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.02 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.87 -32.07 57.37 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.003 -0.617 . . . . 0.0 111.859 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.661 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.4 -58.42 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.477 . . . . 0.0 111.72 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -54.46 -19.52 5.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.401 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.592 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -99.52 -58.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.137 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.592 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.05 -42.64 59.94 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.236 0.541 . . . . 0.0 109.917 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.3 t -84.53 -35.84 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.452 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.81 -31.03 77.12 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.097 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.94 -46.1 7.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.585 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -81.47 -39.45 24.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.805 ' HA2' HG21 ' A' ' 26' ' ' VAL . . . -64.89 -14.66 58.98 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.342 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -86.44 -58.98 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.131 0.491 . . . . 0.0 111.13 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.14 -12.22 59.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -112.57 9.66 26.05 Favored Glycine 0 N--CA 1.437 -1.262 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.684 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 29.8 tttp -55.0 -32.6 61.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.189 0.518 . . . . 0.0 110.315 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -50.54 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.284 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.24 -42.81 30.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.559 0.695 . . . . 0.0 109.968 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.805 HG21 ' HA2' ' A' ' 19' ' ' GLY . 42.7 t -56.62 -21.26 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.292 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -50.68 58.22 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -73.89 -8.87 57.7 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.664 178.445 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 18.2 mt -103.02 -6.9 21.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.906 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -39.73 21.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -12.5 59.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.625 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 33' ' ' GLY . 10.1 t -65.9 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -63.34 -24.29 67.33 Favored Glycine 0 C--N 1.312 -0.767 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.478 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -33.42 66.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.823 0.344 . . . . 0.0 110.709 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.86 -17.62 78.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.592 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.87 -27.12 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.963 0.411 . . . . 0.0 110.692 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.0 t -70.72 -55.01 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.467 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -69.18 -21.9 63.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.485 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.64 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -61.74 -36.72 81.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.6 t -71.6 -44.92 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -61.11 -31.13 70.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -38.29 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 39' ' ' ASP . 28.6 t -79.51 -32.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.794 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -30.18 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.42 -30.18 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 m -82.87 -34.01 26.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.27 -31.65 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.873 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.77 158.73 43.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -36.79 84.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 tp -71.8 -21.14 61.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.45 -31.77 54.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 110.268 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -98.03 -29.68 13.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.03 -48.78 24.9 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.583 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.0 tp -74.36 -34.86 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.062 0.458 . . . . 0.0 110.354 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -70.33 -30.51 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.76 -32.0 57.67 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.861 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.675 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.4 -58.45 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.101 0.476 . . . . 0.0 111.608 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -54.83 -19.76 7.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.473 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.71 -58.24 2.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.105 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.613 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -73.91 -42.14 61.07 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.309 0.576 . . . . 0.0 109.984 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG23 ' HA ' ' A' ' 11' ' ' ALA . 6.4 t -84.49 -41.65 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.521 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.72 -35.37 85.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.403 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.552 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -79.85 -37.29 23.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.643 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.58 -46.94 16.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.731 ' HA2' HG21 ' A' ' 26' ' ' VAL . . . -65.82 -14.75 61.28 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 121.217 -0.516 . . . . 0.0 113.32 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -86.58 -59.08 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.142 0.496 . . . . 0.0 111.173 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 17' ' ' GLY . 1.4 mp -80.45 -11.73 59.64 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -113.44 10.04 24.13 Favored Glycine 0 N--CA 1.438 -1.208 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.637 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.81 -34.06 62.28 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.232 0.539 . . . . 0.0 110.067 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.5 -41.96 91.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.24 -44.15 26.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.511 0.672 . . . . 0.0 109.764 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.731 HG21 ' HA2' ' A' ' 19' ' ' GLY . 48.1 t -53.23 -25.56 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.122 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -53.21 17.07 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -75.8 -8.88 57.94 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.757 178.492 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 76.3 mt -103.2 -8.49 20.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.69 -33.81 27.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.939 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -86.95 -10.73 52.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.719 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.1 t -65.81 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.486 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -63.05 -24.74 67.31 Favored Glycine 0 C--N 1.313 -0.701 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.535 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -65.19 -30.02 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.05 -15.56 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.677 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -26.98 60.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.921 0.391 . . . . 0.0 110.744 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 33' ' ' GLY . 30.4 t -71.61 -59.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.56 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -62.17 -21.83 65.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.548 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 43' ' ' VAL . 24.0 t70 -61.18 -42.15 98.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.85 -31.89 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -29.39 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.93 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.4 t -79.42 -32.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -67.07 -25.48 66.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.8 -35.0 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.9 t -77.52 -31.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -76.45 88.56 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -36.01 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.91 -29.09 62.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -77.56 -29.68 52.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 -29.58 13.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.022 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.87 -41.27 23.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.605 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.4 tt -74.1 -31.36 62.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 110.388 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -35.93 78.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.95 -32.26 56.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.748 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.557 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.11 -40.35 65.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.978 0.418 . . . . 0.0 111.374 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -73.2 -18.35 61.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.949 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.639 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -103.59 -58.37 1.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.552 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.639 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.14 -44.42 53.77 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.112 0.482 . . . . 0.0 110.597 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.557 HG23 ' HA ' ' A' ' 11' ' ' ALA . 4.0 t -84.5 -38.95 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.761 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -62.12 -33.81 87.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.173 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.03 -30.88 40.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.436 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.6 tt -84.62 -46.52 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.756 ' HA2' HG21 ' A' ' 26' ' ' VAL . . . -66.93 -14.86 63.98 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.993 -0.548 . . . . 0.0 113.263 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -86.82 -59.02 2.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.234 0.54 . . . . 0.0 111.042 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.6 -11.06 59.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -114.1 6.28 23.54 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.813 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 21.8 tttp -52.14 -31.09 29.59 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.311 0.577 . . . . 0.0 110.052 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -58.92 -46.17 88.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.168 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.38 -46.58 19.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.45 0.643 . . . . 0.0 110.021 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.756 HG21 ' HA2' ' A' ' 19' ' ' GLY . 50.6 t -49.12 -30.31 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.443 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.55 -51.84 25.8 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 m-20 -73.42 -8.69 56.93 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.724 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 65.6 mt -102.98 -8.78 20.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.888 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -82.66 -30.21 29.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.126 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -9.01 42.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.786 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.71 -123.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.757 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -57.35 -27.17 57.68 Favored Glycine 0 C--N 1.315 -0.619 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.716 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -28.77 70.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.36 -20.76 26.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.554 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.93 -27.22 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.979 0.419 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 33' ' ' GLY . 22.0 t -75.89 -59.67 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.778 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -60.41 -21.92 62.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.696 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.404 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.8 m-20 -68.9 -38.71 79.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 HD13 ' A' ' 44' ' ' LEU . 28.4 t -78.51 -33.51 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -61.27 -31.04 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.91 -35.15 59.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.7 t -79.51 -32.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -74.36 -30.47 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.2 -27.56 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -31.11 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -77.33 -30.46 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.788 0.328 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -119.22 113.53 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.97 -42.88 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.53 -23.29 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -77.47 -29.71 52.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.996 0.427 . . . . 0.0 110.426 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -99.01 -28.61 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.72 -42.39 21.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.669 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp -74.24 -33.62 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.043 0.449 . . . . 0.0 110.303 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.29 -23.8 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.79 -31.89 57.73 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.993 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.69 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.32 -58.44 3.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.103 0.478 . . . . 0.0 111.621 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -19.48 6.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.502 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.621 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.79 -58.22 2.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.151 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -73.97 -41.51 61.84 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.211 0.529 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.69 HG23 ' HA ' ' A' ' 11' ' ' ALA . 6.0 t -84.56 -39.3 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.449 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.43 -33.63 72.91 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.358 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.89 -43.49 9.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.648 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' GLY . 9.8 mp -85.6 -41.52 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.749 0.309 . . . . 0.0 111.127 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.59 -14.88 60.98 Favored Glycine 0 CA--C 1.521 0.443 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.211 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.73 -59.04 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 111.144 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.78 -12.41 59.78 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.74 9.92 25.65 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.704 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 7.3 tttt -55.2 -32.73 62.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.191 0.519 . . . . 0.0 110.243 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.72 -28.89 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.137 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.1 -43.97 27.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.521 0.677 . . . . 0.0 109.739 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.5 t -51.7 -29.27 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.074 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.72 -51.31 28.27 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.8 t70 -72.02 -9.74 58.8 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.536 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 91.3 mt -103.2 -10.41 18.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.854 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.65 -30.69 29.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.057 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -10.05 47.02 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.545 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.1 t -66.39 -123.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -69.87 -17.98 73.88 Favored Glycine 0 C--N 1.313 -0.704 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.612 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -75.13 -30.54 60.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.54 -10.98 49.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.813 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.86 -26.96 60.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.932 0.396 . . . . 0.0 110.838 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.85 -59.75 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.726 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -66.68 -21.78 66.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.47 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.77 -43.19 80.41 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 36' ' ' ALA . 26.9 t -78.51 -38.06 21.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -60.29 -28.55 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.79 -39.28 57.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.4 t -79.43 -34.02 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -31.74 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.86 -23.91 38.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.1 m -85.46 -31.37 22.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 43' ' ' VAL . 23.4 t -88.07 -31.6 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.908 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.778 0.323 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -170.16 94.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.7 -44.48 61.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -22.11 63.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.62 -29.7 51.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.429 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.9 -26.4 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.247 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.08 -43.91 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.735 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -31.4 62.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 0.0 110.57 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -63.07 -38.73 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.057 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.89 -32.34 57.0 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.739 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.79 -58.42 3.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.116 0.484 . . . . 0.0 111.613 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -18.67 13.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.75 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.608 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -93.45 -58.58 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.739 -179.228 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.608 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.47 -45.5 45.77 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.383 0.611 . . . . 0.0 109.875 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' GLY . 6.0 t -84.58 -44.6 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.75 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.79 -28.06 72.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.407 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.92 -58.88 2.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.704 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -85.76 -39.07 17.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.709 0.29 . . . . 0.0 111.455 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.83 -14.87 59.19 Favored Glycine 0 CA--C 1.521 0.458 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.675 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -86.59 -59.04 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.118 0.485 . . . . 0.0 111.247 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.4 mt -80.55 -11.95 59.59 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -113.27 11.51 24.16 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 114.081 -1.418 . . . . 0.0 110.628 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 14.6 tttm -56.12 -34.25 65.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.234 0.54 . . . . 0.0 109.95 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -33.46 75.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.749 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.25 -40.77 36.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.476 0.655 . . . . 0.0 109.779 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 22' ' ' GLY . 48.4 t -48.95 -30.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.166 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.4 -50.04 42.78 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.7 t0 -71.88 -8.76 56.31 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.501 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 86.6 mt -102.98 -9.75 19.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.823 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.52 -29.22 30.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.094 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -92.28 -9.82 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.63 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.88 -123.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -66.54 -22.37 71.42 Favored Glycine 0 C--N 1.314 -0.655 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.61 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -75.24 -30.18 60.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.14 -7.02 80.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.823 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.8 -26.97 60.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.0 110.777 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 t -68.93 -59.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.6 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -63.2 -21.79 66.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.43 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.25 -31.03 70.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.5 t -64.52 -32.58 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -30.05 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -33.5 25.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 47' ' ' VAL . 28.8 t -79.36 -31.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -29.93 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.9 p -82.61 -31.62 28.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.5 t -65.16 -32.15 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.913 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.836 0.35 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -118.16 43.12 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -72.66 -33.31 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -72.76 -23.56 60.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -31.44 53.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.312 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -97.64 -29.07 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.78 -44.82 30.1 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.541 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.39 -40.32 62.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.194 0.521 . . . . 0.0 110.038 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -70.47 -34.61 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -75.05 -31.94 57.1 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.838 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.14 -58.51 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.104 0.478 . . . . 0.0 111.512 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -51.59 -20.47 1.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.334 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -102.95 -58.43 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.01 -39.61 63.48 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.175 0.512 . . . . 0.0 110.287 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.644 HG23 ' HA ' ' A' ' 11' ' ' ALA . 33.1 t -84.36 -44.85 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.428 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.23 -41.05 99.38 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.82 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.17 -57.72 2.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.636 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.2 tt -68.75 -42.15 77.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.845 0.355 . . . . 0.0 111.265 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.46 -14.74 58.04 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.369 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.37 -59.1 2.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.117 0.484 . . . . 0.0 111.079 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.1 -12.49 59.67 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.42 10.6 26.25 Favored Glycine 0 N--CA 1.438 -1.217 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.714 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 4.2 ttpp -56.04 -33.36 64.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.203 0.525 . . . . 0.0 110.206 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.4 -31.03 65.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.986 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.24 -45.05 23.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.481 0.657 . . . . 0.0 109.772 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.7 t -51.27 -31.6 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.064 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -70.25 -50.01 44.14 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -71.48 -8.88 56.7 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.579 178.213 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 49.4 mt -103.11 -10.76 18.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.791 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.47 -26.96 32.16 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.209 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -9.57 34.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.588 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.8 t -65.91 -123.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -52.81 -25.84 23.9 Favored Glycine 0 C--N 1.315 -0.622 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.552 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -32.09 61.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.365 . . . . 0.0 110.797 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.72 -2.97 61.12 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.849 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.8 -27.04 60.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.955 0.407 . . . . 0.0 110.689 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.89 -59.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.628 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -63.13 -21.88 66.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.531 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -33.61 72.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -77.23 -31.18 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -37.84 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.1 t -79.52 -32.6 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.715 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.04 -30.12 67.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.16 -25.57 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -83.88 -30.71 26.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.7 t -78.98 -32.07 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.801 0.334 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.87 35.45 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 tt -66.3 -35.53 80.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -28.25 66.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.45 -29.69 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.406 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -30.31 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.033 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.84 -40.25 9.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.68 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -74.2 -31.41 62.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.008 0.432 . . . . 0.0 110.438 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.86 -39.4 76.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.043 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.99 -32.23 56.93 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.837 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.627 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.62 -58.54 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.063 0.459 . . . . 0.0 111.681 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.28 -20.85 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.611 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -96.04 -58.38 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.141 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.619 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.14 -42.5 59.89 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.325 0.583 . . . . 0.0 109.976 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' A' ' 11' ' ' ALA . 5.6 t -84.66 -48.19 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.633 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.68 -43.29 52.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.02 -57.62 2.98 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.907 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 tp -85.74 -40.57 15.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.689 0.281 . . . . 0.0 111.713 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.59 -14.91 58.72 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.711 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -86.69 -59.12 2.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.156 0.503 . . . . 0.0 111.188 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.77 -12.57 59.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.88 11.35 25.05 Favored Glycine 0 N--CA 1.438 -1.196 0 CA-C-N 113.966 -1.47 . . . . 0.0 110.668 178.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 20.7 tttp -56.37 -34.57 66.78 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.178 0.514 . . . . 0.0 110.052 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.15 -35.71 77.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.778 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.24 -39.39 40.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.441 0.639 . . . . 0.0 109.822 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.568 HG12 ' OE1' ' A' ' 30' ' ' GLU . 51.2 t -51.46 -26.65 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.326 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.06 -52.95 16.54 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -75.69 -8.79 57.7 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.755 178.564 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 69.5 mt -103.26 -9.57 19.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' OE1' HG12 ' A' ' 26' ' ' VAL . 4.3 mt-10 -82.6 -28.24 30.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.108 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.42 -10.22 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.672 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.3 t -65.58 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -64.11 -22.47 66.99 Favored Glycine 0 C--N 1.314 -0.694 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.555 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -63.13 -29.98 71.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.97 -14.03 56.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.721 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.89 -26.97 60.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.938 0.399 . . . . 0.0 110.77 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.28 -59.72 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -66.43 -21.74 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.466 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -33.59 75.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.6 t -71.29 -31.78 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -59.86 -30.64 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -37.88 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.37 -31.81 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.82 -30.36 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.24 -31.34 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.72 -31.63 28.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.65 -31.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.872 0.368 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -161.16 -176.03 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -36.98 81.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.5 mt -72.76 -32.58 65.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -30.96 53.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -90.38 -31.52 16.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.53 -38.35 24.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.546 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -74.21 -32.59 63.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.059 0.457 . . . . 0.0 110.303 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.34 -33.79 71.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.88 -32.1 57.31 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.081 -0.58 . . . . 0.0 111.859 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.675 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.41 -58.2 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.036 0.446 . . . . 0.0 111.615 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -55.85 -18.61 9.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.61 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.24 -58.34 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.202 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.618 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.17 -42.71 59.45 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.304 0.573 . . . . 0.0 109.89 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG23 ' HA ' ' A' ' 11' ' ' ALA . 3.7 t -84.56 -43.89 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.556 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.92 -37.69 63.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.89 -26.78 57.81 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.544 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 22.7 mt -85.65 -37.59 19.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 111.128 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -81.67 -15.14 76.48 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.106 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -86.79 -58.93 2.42 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.203 0.525 . . . . 0.0 110.958 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -80.25 -13.11 59.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -112.22 11.03 26.63 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.696 178.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -55.83 -32.78 63.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.132 0.491 . . . . 0.0 110.214 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.46 -37.28 62.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.037 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.23 -41.12 35.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.476 0.655 . . . . 0.0 109.717 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.7 t -52.51 -28.89 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.031 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -69.91 -50.73 39.3 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.8 m-20 -72.26 -8.9 57.37 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.538 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.1 mt -103.04 -8.45 20.57 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -36.22 26.17 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.53 -11.19 57.71 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.582 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 33' ' ' GLY . 10.7 t -66.18 -123.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.035 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.566 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -70.97 -18.03 75.98 Favored Glycine 0 C--N 1.313 -0.721 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.541 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -71.23 -34.81 71.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.383 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.08 -24.2 69.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.593 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.74 -26.99 60.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.754 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 33' ' ' GLY . 21.4 t -72.52 -53.94 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.656 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -68.6 -21.82 64.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.55 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.733 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.8 t70 -59.95 -30.29 68.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.18 -42.83 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -68.85 -34.78 76.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.67 -39.95 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 39' ' ' ASP . 31.9 t -79.32 -29.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.5 tp -54.95 -28.62 52.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -65.15 -33.19 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -87.24 -36.31 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.5 t -59.21 -30.07 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.798 0.332 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -108.52 148.17 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.93 -26.18 65.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.77 -44.51 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 -29.74 52.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.601 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -87.22 -28.82 22.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.055 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -39.97 9.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.599 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.9 tt -74.19 -31.39 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.391 . . . . 0.0 110.504 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.05 -25.29 67.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.141 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.8 -32.15 57.4 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.827 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.587 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.6 -58.45 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 0.0 111.596 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -55.66 -20.12 12.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.664 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -94.54 -58.5 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.063 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.21 -42.67 59.4 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.388 0.613 . . . . 0.0 109.805 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG23 ' HA ' ' A' ' 11' ' ' ALA . 3.6 t -84.6 -50.48 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.389 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.25 -33.61 87.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.39 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.05 -57.27 3.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.865 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -85.58 -41.73 15.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.689 0.281 . . . . 0.0 111.688 -179.349 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -63.56 -14.93 56.49 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.58 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -86.76 -59.04 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.095 0.474 . . . . 0.0 111.174 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.5 mt -79.48 -12.71 59.87 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.4 10.36 26.32 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.688 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 14.8 ttpt -56.21 -34.0 65.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.153 0.501 . . . . 0.0 110.246 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.01 -37.45 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.063 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.19 -42.58 31.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 109.812 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.5 t -50.86 -29.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.319 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.57 -51.31 29.31 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -73.98 -8.85 57.63 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.638 178.385 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 68.1 mt -103.29 -10.06 19.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.96 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.55 -29.59 30.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.088 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -91.39 -10.05 42.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.658 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.81 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -70.05 -18.46 74.66 Favored Glycine 0 C--N 1.314 -0.683 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.856 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -30.22 70.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.37 -20.56 48.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.622 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -27.01 60.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLY . 28.8 t -67.27 -59.66 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.561 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -64.21 -21.78 66.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.326 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -35.26 78.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.87 -33.93 61.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -34.04 76.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -39.58 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 -32.21 14.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.78 -29.14 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.28 -30.11 69.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -83.88 -33.1 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.51 -34.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -166.59 175.77 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -28.26 69.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mt -72.67 -30.25 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.96 -29.63 49.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.193 0.521 . . . . 0.0 110.122 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -90.62 -32.23 16.34 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.03 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.3 -40.87 14.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.566 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.8 tt -74.14 -31.34 62.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.538 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.47 -31.89 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.035 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.547 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.86 -32.16 57.27 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.865 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.491 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.69 -58.33 3.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.131 0.491 . . . . 0.0 111.663 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -57.96 -18.67 25.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.708 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.607 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -92.68 -58.49 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.803 -179.198 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.47 -43.74 54.71 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.377 0.608 . . . . 0.0 109.811 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 11' ' ' ALA . 2.7 t -84.67 -54.96 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.667 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.6 -47.49 29.68 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.809 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.54 -27.6 73.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.534 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -85.68 -39.5 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.334 . . . . 0.0 111.075 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 23' ' ' LYS . . . -81.61 -15.14 76.61 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.11 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -86.87 -59.04 2.37 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.254 0.549 . . . . 0.0 110.988 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.02 -13.11 59.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -112.91 12.24 24.76 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.119 -1.401 . . . . 0.0 110.757 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -57.71 -34.9 69.96 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.234 0.54 . . . . 0.0 110.219 -179.747 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.68 -37.28 75.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.132 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.3 -46.6 19.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.536 0.684 . . . . 0.0 109.887 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 53.4 t -51.86 -30.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.186 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.44 -51.23 30.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -72.79 -8.99 58.12 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.636 178.388 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 43.5 mt -103.27 -9.87 19.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.913 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -30.2 29.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.075 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -91.24 -9.77 44.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.73 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -65.97 -123.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -59.36 -28.1 64.12 Favored Glycine 0 C--N 1.313 -0.714 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.461 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -75.28 -31.35 60.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.96 -6.14 87.04 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.856 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.95 60.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.27 -49.32 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.487 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -72.43 -21.82 61.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.491 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.34 -31.15 67.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.07 -36.82 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.89 -33.8 72.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.82 -35.76 64.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 47' ' ' VAL . 27.1 t -79.41 -32.23 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -29.8 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -29.37 67.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -84.19 -30.76 25.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.3 t -79.27 -31.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.822 0.344 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.55 173.06 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.68 -29.5 70.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.69 -30.44 64.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -29.7 52.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.451 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -32.42 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.016 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.19 -43.02 22.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.55 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.12 -31.42 62.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.8 -40.6 93.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.988 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.503 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.86 -32.2 57.22 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.841 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.632 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.52 -58.49 3.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.149 0.5 . . . . 0.0 111.602 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -56.1 -19.01 11.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.532 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.606 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -97.65 -58.34 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.219 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.19 -42.87 59.14 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.292 0.568 . . . . 0.0 109.888 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 11' ' ' ALA . 4.1 t -84.69 -41.02 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.477 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.21 -34.51 88.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.89 -37.3 22.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.641 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -85.69 -44.89 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 111.246 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -66.75 -14.92 63.67 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.08 -0.581 . . . . 0.0 113.412 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -86.78 -59.06 2.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.181 0.515 . . . . 0.0 111.022 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.1 mt -79.15 -12.95 59.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.18 9.09 26.95 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.052 -1.431 . . . . 0.0 110.777 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 2.5 ttpt -55.18 -31.84 61.7 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.25 0.548 . . . . 0.0 110.306 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -28.31 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.225 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.92 -43.46 29.88 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.479 0.657 . . . . 0.0 109.64 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -53.12 -32.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.849 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.32 -49.63 47.45 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.6 t0 -70.62 -9.39 56.85 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.538 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.489 ' HA ' HG23 ' A' ' 32' ' ' VAL . 32.6 mt -103.12 -11.47 18.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.604 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.59 -17.4 44.92 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.235 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -107.33 -7.99 16.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 29' ' ' LEU . 12.1 t -65.43 -123.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -53.44 -31.71 43.98 Favored Glycine 0 C--N 1.315 -0.592 0 C-N-CA 121.39 -0.433 . . . . 0.0 113.033 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -34.3 74.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.13 7.75 44.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.784 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.79 -27.01 60.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.979 0.419 . . . . 0.0 110.787 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.93 -59.68 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.664 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -21.83 66.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.496 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.528 ' O ' HG23 ' A' ' 43' ' ' VAL . 11.5 t70 -67.4 -30.79 70.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 36' ' ' ALA . 27.1 t -75.55 -35.52 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.077 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -61.7 -31.24 71.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.46 -37.3 51.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 t -79.32 -31.23 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.13 -29.33 69.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.27 -40.61 86.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.4 m -85.56 -37.26 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.2 t -64.1 -30.81 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.94 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.47 151.67 29.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -67.9 -28.75 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.4 -26.66 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.059 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -77.51 -29.74 52.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.979 0.418 . . . . 0.0 110.345 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.28 -28.79 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.15 -38.93 17.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.699 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.42 -38.77 62.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.113 0.482 . . . . 0.0 110.086 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -70.39 -36.25 73.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.9 -32.06 57.31 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.88 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.655 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.08 -58.56 3.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.115 0.484 . . . . 0.0 111.57 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -51.08 -20.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.159 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -103.9 -58.02 1.94 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.066 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.577 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -73.84 -39.48 63.99 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.134 0.493 . . . . 0.0 110.292 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' HA ' ' A' ' 11' ' ' ALA . 47.2 t -84.41 -43.87 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.396 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.6 -40.52 66.66 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.893 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.18 -60.54 2.37 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.809 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.4 mp -85.65 -40.92 15.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 0.0 111.643 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -61.96 -14.72 46.75 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.377 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -86.29 -59.02 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.116 0.484 . . . . 0.0 111.078 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.08 -12.62 59.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.45 8.68 28.47 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 113.945 -1.48 . . . . 0.0 110.708 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.4 -29.72 49.85 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.078 0.466 . . . . 0.0 110.408 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -31.02 40.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.006 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.21 -42.94 29.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 109.602 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.2 t -53.52 -27.14 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.13 -51.35 32.17 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.21 -8.86 57.64 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.642 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 55.9 mt -103.28 -10.11 18.98 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.889 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -82.57 -28.87 30.66 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.126 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -92.61 -9.59 40.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.681 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.7 t -65.89 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.007 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -55.33 -30.47 55.28 Favored Glycine 0 C--N 1.315 -0.608 0 C-N-CA 121.279 -0.486 . . . . 0.0 112.684 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -74.08 -28.77 61.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.85 7.84 80.96 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.751 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.687 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.76 -26.97 60.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.801 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.1 t -70.0 -56.32 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.619 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.37 -21.84 63.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.554 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.09 -34.3 77.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.3 t -63.56 -32.67 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -60.27 -30.62 69.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -75.77 -37.12 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.4 -31.77 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -30.01 70.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.62 -31.34 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -31.45 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' VAL . 31.1 t -61.9 -30.27 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.821 0.343 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.37 86.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -30.56 58.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.76 -31.47 64.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.65 -30.22 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.475 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -93.25 -28.7 16.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.08 -35.69 20.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.68 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tt -74.13 -32.06 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.317 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -70.25 -39.34 75.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.785 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -75.14 -32.08 56.64 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.74 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.627 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.24 -58.56 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.076 0.465 . . . . 0.0 111.604 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -22.03 1.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.298 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.589 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -100.25 -58.55 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.589 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.22 -40.36 62.49 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 110.402 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' A' ' 11' ' ' ALA . 29.2 t -84.33 -44.67 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.709 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.55 -40.52 94.24 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.117 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.15 -64.5 1.85 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.943 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.7 tp -85.6 -38.47 18.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.701 0.286 . . . . 0.0 111.637 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -63.62 -14.81 56.15 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 121.144 -0.55 . . . . 0.0 113.497 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -86.46 -58.97 2.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.168 0.508 . . . . 0.0 111.114 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 pp -80.6 -11.13 59.69 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.9 6.52 25.68 Favored Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.628 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -52.05 -27.74 14.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.161 0.505 . . . . 0.0 110.208 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -53.27 -34.58 57.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.201 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.32 32.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 109.78 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.441 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.0 t -52.7 -28.76 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.008 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.77 -50.22 45.39 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -71.69 -8.86 56.78 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.517 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 44.1 mt -103.17 -9.68 19.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.812 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -28.87 30.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.094 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.18 -9.24 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.658 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -66.01 -123.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -71.85 -15.7 76.1 Favored Glycine 0 C--N 1.314 -0.666 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.798 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -29.18 65.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.34 -22.13 42.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.652 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.06 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.774 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 33' ' ' GLY . 21.7 t -69.94 -59.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -61.92 -21.78 65.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.367 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -39.37 85.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.48 -33.13 16.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -60.34 -31.1 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.23 -36.05 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 t -79.41 -31.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.3 -28.93 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.78 -25.92 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.24 -30.71 23.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.16 -34.52 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.946 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.8 0.333 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.4 129.86 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.2 mp -72.41 -31.08 65.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.17 -26.51 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.52 -29.62 52.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.486 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -97.28 -26.45 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.61 -45.9 7.63 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.884 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.712 HD23 ' HG2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -74.14 -31.34 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.723 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.19 -41.06 87.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.001 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.512 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -75.11 -32.3 56.44 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.834 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.638 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.67 -58.55 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.156 0.503 . . . . 0.0 111.712 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HG2' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -52.36 -20.88 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.497 -179.049 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.77 -58.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -178.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.618 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.25 -41.23 61.62 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.272 0.558 . . . . 0.0 110.18 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 11' ' ' ALA . 15.9 t -84.41 -46.34 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.633 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.68 -43.14 60.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.401 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.08 -54.17 3.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.031 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -85.6 -41.47 15.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.681 0.277 . . . . 0.0 111.744 -179.292 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' HA2' HG21 ' A' ' 26' ' ' VAL . . . -64.2 -14.77 57.46 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.568 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -86.49 -59.03 2.39 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.089 0.471 . . . . 0.0 111.196 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mt -80.5 -11.9 59.61 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -113.24 11.13 24.31 Favored Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.721 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -56.26 -34.05 66.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.241 0.543 . . . . 0.0 110.107 -179.764 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.48 -37.06 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.19 -43.74 27.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.453 0.644 . . . . 0.0 109.826 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.8 t -52.04 -29.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.084 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.4 -51.35 30.26 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.36 -8.88 57.74 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.656 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 42.0 mt -103.31 -10.41 18.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.864 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -82.52 -27.59 31.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.138 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -94.12 -9.63 35.9 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.677 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -65.93 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -63.42 -24.89 68.05 Favored Glycine 0 C--N 1.313 -0.74 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.586 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -30.1 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.5 -22.19 51.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.578 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.95 -26.98 60.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.968 0.413 . . . . 0.0 110.772 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 33' ' ' GLY . 30.0 t -70.07 -59.64 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -65.89 -21.86 66.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.539 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.52 -32.76 69.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.59 -35.29 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -38.06 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.4 -33.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.28 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -29.0 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -35.28 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -63.32 -31.49 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.907 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.829 0.347 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -129.98 126.41 37.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.5 tt -77.14 -32.79 56.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.69 -23.82 60.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.57 -29.67 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.408 . . . . 0.0 110.395 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -98.9 -28.55 13.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.57 -42.96 20.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.595 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD23 ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -74.19 -31.41 62.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.998 0.428 . . . . 0.0 110.435 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -31.86 69.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.498 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.94 -32.08 57.2 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.836 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.675 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.42 -58.49 3.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.066 0.46 . . . . 0.0 111.691 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.531 ' HG3' HD23 ' A' ' 8' ' ' LEU . 18.8 mttt -52.9 -20.39 3.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.563 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.6 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -99.36 -58.43 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.048 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.6 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.18 -41.33 61.62 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.223 0.535 . . . . 0.0 110.069 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.3 t -84.45 -44.16 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.517 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.07 -39.35 94.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.206 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -80.06 -47.35 7.12 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.596 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.8 tp -70.4 -46.45 63.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.37 -14.78 60.31 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.279 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -86.46 -58.97 2.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.145 0.498 . . . . 0.0 110.964 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 17' ' ' GLY . 1.2 mp -79.4 -13.31 59.69 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 177.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.13 9.93 29.14 Favored Glycine 0 N--CA 1.438 -1.207 0 CA-C-N 113.973 -1.467 . . . . 0.0 110.633 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -55.14 -31.6 61.44 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.107 0.479 . . . . 0.0 110.382 -179.725 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.33 -41.48 65.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.114 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.19 -39.27 41.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.483 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.6 t -52.82 -28.39 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.197 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.19 -51.58 29.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.1 t70 -73.62 -8.81 57.45 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.645 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 19.7 mt -103.22 -7.33 21.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.914 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.21 22.44 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -10.74 59.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.671 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.69 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -74.61 -14.54 81.12 Favored Glycine 0 C--N 1.313 -0.717 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.693 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -73.46 -30.9 63.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.82 -11.06 31.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.757 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.83 -26.86 60.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 33' ' ' GLY . 21.2 t -69.84 -56.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -67.05 -21.81 65.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.493 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.505 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.1 t70 -67.35 -36.86 82.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' ALA . 30.0 t -62.64 -50.88 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -61.66 -30.63 70.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.94 -42.14 81.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 39' ' ' ASP . 21.9 t -79.41 -31.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -29.93 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -27.39 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.75 -30.65 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -77.98 -33.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.894 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.851 0.357 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.61 128.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -77.88 -32.57 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.09 -27.4 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -77.54 -29.6 52.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.503 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -94.91 -30.87 13.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.08 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.56 -40.85 21.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.59 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -74.19 -31.41 62.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.523 179.784 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -60.39 -30.66 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.018 -179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.79 -32.26 57.29 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.822 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.656 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.57 -58.36 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.118 0.485 . . . . 0.0 111.603 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -18.67 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.562 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -97.09 -58.32 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.192 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.627 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.13 -42.61 59.73 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.34 0.59 . . . . 0.0 109.902 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 11' ' ' ALA . 3.2 t -84.65 -47.66 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.558 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.9 -36.05 41.23 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.664 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.71 -33.41 60.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.393 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.544 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -85.68 -32.61 21.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -81.48 -15.01 77.24 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 121.049 -0.596 . . . . 0.0 113.035 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -86.43 -58.98 2.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.201 0.524 . . . . 0.0 110.816 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.52 -14.78 58.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -109.46 10.09 33.04 Favored Glycine 0 N--CA 1.437 -1.238 0 CA-C-N 114.068 -1.423 . . . . 0.0 110.629 177.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.11 -29.95 46.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.157 0.503 . . . . 0.0 110.295 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.31 -32.21 47.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.04 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.22 -47.75 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 109.656 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.07 -31.11 24.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.769 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.91 -49.92 40.45 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -70.03 -10.67 59.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.46 178.218 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.5 mt -103.23 -11.82 17.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.844 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.49 -27.72 31.61 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.09 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -93.05 -9.31 40.14 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.604 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.0 t -66.26 -123.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -52.11 -33.69 38.07 Favored Glycine 0 C--N 1.314 -0.647 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -75.26 -29.32 60.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.22 7.82 76.64 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.982 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -27.31 61.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.954 0.406 . . . . 0.0 110.587 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 t -75.98 -53.62 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.562 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -65.94 -21.81 66.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.599 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -31.72 67.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.57 -32.93 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -34.12 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.25 -39.26 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.6 t -79.36 -31.38 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 44' ' ' LEU . 1.3 tt -59.93 -29.87 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -29.68 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -82.0 -30.97 31.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 43' ' ' VAL . 29.1 t -65.29 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.242 0 CA-C-O 121.44 0.638 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 41.3 t -50.98 -30.59 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.031 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.32 -49.96 44.07 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.29 -8.86 57.17 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.546 178.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 16.4 mt -103.13 -9.99 19.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.811 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.59 -25.95 32.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.78 -8.93 29.92 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.778 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.3 t -65.47 -123.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.316 -0.565 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.93 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.855 0.359 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.25 -30.54 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.4 -39.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.38 -31.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.973 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.35 -30.04 71.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -28.48 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -81.91 -30.65 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.39 -31.2 52.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.281 0 CA-C-O 121.462 0.648 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.445 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.4 t -51.74 -30.65 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.074 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -70.44 -50.63 36.32 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.5 t0 -72.35 -9.02 57.97 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.585 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.3 mt -103.28 -10.68 18.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.828 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.49 -28.13 31.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.11 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.76 -8.79 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.62 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.1 t -65.96 -123.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.59 0 C-N-CA 121.427 -0.416 . . . . 0.0 112.898 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.47 -31.08 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -37.69 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.36 -31.83 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.89 -30.5 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.3 p -83.42 -31.55 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.9 t -69.67 -29.94 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.894 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.518 0.675 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -53.02 -32.67 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.78 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.37 -48.91 54.11 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -70.2 -9.44 55.8 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.485 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HA ' HG23 ' A' ' 32' ' ' VAL . 27.5 mt -103.2 -11.84 17.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.735 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.54 -22.4 34.99 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.161 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.63 -8.1 23.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.679 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 33' ' ' GLY . 13.7 t -65.17 -123.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.488 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.316 -0.561 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.95 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -30.84 70.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.37 -34.21 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.42 -31.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.56 -29.1 66.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.89 -28.49 67.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -80.68 -30.33 36.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 43' ' ' VAL . 34.8 t -62.05 -31.0 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.561 ' OXT' HD23 ' A' ' 48' ' ' LEU . 8.9 tt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.231 0 CA-C-O 121.491 0.662 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.479 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.1 t -49.18 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.197 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.84 -50.2 45.06 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -73.05 -8.96 58.07 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.607 178.236 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 25.5 mt -103.18 -9.77 19.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.58 -32.38 28.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.104 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -88.7 -9.28 52.57 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.662 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.9 t -66.0 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.665 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.71 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.351 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -29.73 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.86 -37.02 49.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.2 t -79.4 -33.06 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.61 -30.69 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.968 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.16 -29.65 70.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -86.1 -39.14 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -60.96 -32.23 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 47' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.275 0 CA-C-O 121.559 0.695 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 42.7 t -56.62 -21.26 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.292 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -50.68 58.22 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -73.89 -8.87 57.7 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.664 178.445 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 18.2 mt -103.02 -6.9 21.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.906 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -39.73 21.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -12.5 59.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.625 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 33' ' ' GLY . 10.1 t -65.9 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.312 -0.767 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.478 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.927 0.394 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -61.11 -31.13 70.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -38.29 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.51 -32.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.794 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -30.18 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.42 -30.18 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 m -82.87 -34.01 26.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.27 -31.65 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.873 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.248 0 CA-C-O 121.511 0.672 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.1 t -53.23 -25.56 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.122 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -53.21 17.07 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -75.8 -8.88 57.94 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.757 178.492 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 76.3 mt -103.2 -8.49 20.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.69 -33.81 27.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.939 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -86.95 -10.73 52.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.719 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.1 t -65.81 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.701 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.535 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.833 0.349 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -29.39 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.93 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.4 t -79.42 -32.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -67.07 -25.48 66.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.8 -35.0 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.9 t -77.52 -31.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.45 0.643 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 50.6 t -49.12 -30.31 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.443 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.55 -51.84 25.8 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 m-20 -73.42 -8.69 56.93 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.724 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 65.6 mt -102.98 -8.78 20.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.888 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -82.66 -30.21 29.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.126 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -9.01 42.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.786 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.71 -123.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.619 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.716 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 HD13 ' A' ' 44' ' ' LEU . 28.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.817 0.341 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -61.27 -31.04 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.91 -35.15 59.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.7 t -79.51 -32.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -74.36 -30.47 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.2 -27.56 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -31.11 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -77.33 -30.46 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 121.521 0.677 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.5 t -51.7 -29.27 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.074 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.72 -51.31 28.27 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.8 t70 -72.02 -9.74 58.8 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.536 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 91.3 mt -103.2 -10.41 18.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.854 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.65 -30.69 29.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.057 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -10.05 47.02 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.545 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.1 t -66.39 -123.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.704 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.612 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -60.29 -28.55 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.79 -39.28 57.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.4 t -79.43 -34.02 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -31.74 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.86 -23.91 38.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.1 m -85.46 -31.37 22.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 43' ' ' VAL . 23.4 t -88.07 -31.6 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.908 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.476 0.655 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.46 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.4 t -48.95 -30.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.166 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.4 -50.04 42.78 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.7 t0 -71.88 -8.76 56.31 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.501 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 86.6 mt -102.98 -9.75 19.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.823 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.52 -29.22 30.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.094 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -92.28 -9.82 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.63 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.88 -123.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.655 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.61 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -30.05 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -33.5 25.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 47' ' ' VAL . 28.8 t -79.36 -31.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -29.93 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.9 p -82.61 -31.62 28.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.5 t -65.16 -32.15 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.913 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.481 0.657 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.7 t -51.27 -31.6 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.064 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -70.25 -50.01 44.14 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -71.48 -8.88 56.7 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.579 178.213 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 49.4 mt -103.11 -10.76 18.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.791 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.47 -26.96 32.16 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.209 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -9.57 34.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.588 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.8 t -65.91 -123.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.622 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.552 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.777 0.322 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -37.84 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.1 t -79.52 -32.6 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.715 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.04 -30.12 67.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.16 -25.57 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -83.88 -30.71 26.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.7 t -78.98 -32.07 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.441 0.639 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.568 HG12 ' OE1' ' A' ' 30' ' ' GLU . 51.2 t -51.46 -26.65 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.326 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.06 -52.95 16.54 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -75.69 -8.79 57.7 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.755 178.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 69.5 mt -103.26 -9.57 19.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' OE1' HG12 ' A' ' 26' ' ' VAL . 4.3 mt-10 -82.6 -28.24 30.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.108 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.42 -10.22 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.672 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.3 t -65.58 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.694 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.555 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -59.86 -30.64 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -37.88 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.37 -31.81 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.82 -30.36 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.24 -31.34 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.72 -31.63 28.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.65 -31.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.476 0.655 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.7 t -52.51 -28.89 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.031 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -69.91 -50.73 39.3 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.8 m-20 -72.26 -8.9 57.37 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.538 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.1 mt -103.04 -8.45 20.57 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -36.22 26.17 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.53 -11.19 57.71 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.582 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 33' ' ' GLY . 10.7 t -66.18 -123.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.035 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.721 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.541 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.853 0.359 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -68.85 -34.78 76.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.67 -39.95 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.9 t -79.32 -29.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.5 tp -54.95 -28.62 52.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -65.15 -33.19 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -87.24 -36.31 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.5 t -59.21 -30.07 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.519 0.676 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.5 t -50.86 -29.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.319 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.57 -51.31 29.31 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -73.98 -8.85 57.63 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.638 178.385 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 68.1 mt -103.29 -10.06 19.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.96 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.55 -29.59 30.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.088 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -91.39 -10.05 42.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.658 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.81 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.683 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.856 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.823 0.344 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -34.04 76.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -39.58 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 -32.21 14.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.78 -29.14 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.28 -30.11 69.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -83.88 -33.1 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.51 -34.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.281 0 CA-C-O 121.536 0.684 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 53.4 t -51.86 -30.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.186 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.44 -51.23 30.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -72.79 -8.99 58.12 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.636 178.388 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 43.5 mt -103.27 -9.87 19.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.913 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -30.2 29.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.075 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -91.24 -9.77 44.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.73 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -65.97 -123.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.714 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.89 -33.8 72.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.82 -35.76 64.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 47' ' ' VAL . 27.1 t -79.41 -32.23 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -29.8 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -29.37 67.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -84.19 -30.76 25.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.3 t -79.27 -31.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.298 0 CA-C-O 121.479 0.657 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -53.12 -32.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.849 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.32 -49.63 47.45 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.6 t0 -70.62 -9.39 56.85 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.538 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.489 ' HA ' HG23 ' A' ' 32' ' ' VAL . 32.6 mt -103.12 -11.47 18.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.604 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.59 -17.4 44.92 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.235 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -107.33 -7.99 16.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 29' ' ' LEU . 12.1 t -65.43 -123.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.592 0 C-N-CA 121.39 -0.433 . . . . 0.0 113.033 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -61.7 -31.24 71.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.46 -37.3 51.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 t -79.32 -31.23 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.13 -29.33 69.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.27 -40.61 86.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.4 m -85.56 -37.26 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.2 t -64.1 -30.81 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.94 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 121.572 0.701 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.2 t -53.52 -27.14 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.13 -51.35 32.17 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.21 -8.86 57.64 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.642 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 55.9 mt -103.28 -10.11 18.98 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.889 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -82.57 -28.87 30.66 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.126 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -92.61 -9.59 40.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.681 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.7 t -65.89 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.007 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.315 -0.608 0 C-N-CA 121.279 -0.486 . . . . 0.0 112.684 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.817 0.341 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -60.27 -30.62 69.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -75.77 -37.12 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.4 -31.77 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -30.01 70.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.62 -31.34 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -31.45 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' VAL . 31.1 t -61.9 -30.27 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.441 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.0 t -52.7 -28.76 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.008 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.77 -50.22 45.39 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -71.69 -8.86 56.78 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.517 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 44.1 mt -103.17 -9.68 19.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.812 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -28.87 30.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.094 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.18 -9.24 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.658 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -66.01 -123.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.666 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.798 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.828 0.346 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -60.34 -31.1 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.23 -36.05 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 t -79.41 -31.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.3 -28.93 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.78 -25.92 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.24 -30.71 23.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.16 -34.52 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.946 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 121.453 0.644 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.8 t -52.04 -29.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.084 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.4 -51.35 30.26 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.36 -8.88 57.74 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.656 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 42.0 mt -103.31 -10.41 18.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.864 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -82.52 -27.59 31.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.138 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -94.12 -9.63 35.9 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.677 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -65.93 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.74 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.586 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -38.06 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.4 -33.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.28 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -29.0 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -35.28 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -63.32 -31.49 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.907 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.483 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.6 t -52.82 -28.39 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.197 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.19 -51.58 29.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.1 t70 -73.62 -8.81 57.45 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.645 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 19.7 mt -103.22 -7.33 21.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.914 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.21 22.44 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -10.74 59.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.671 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.69 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.313 -0.717 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.693 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.0 t . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.982 0.42 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -61.66 -30.63 70.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.94 -42.14 81.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.9 t -79.41 -31.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -29.93 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -27.39 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.75 -30.65 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -77.98 -33.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.894 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.07 -31.11 24.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.769 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.91 -49.92 40.45 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -70.03 -10.67 59.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.46 178.218 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.5 mt -103.23 -11.82 17.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.844 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.49 -27.72 31.61 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.09 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -93.05 -9.31 40.14 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.604 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.0 t -66.26 -123.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' HG12 ' A' ' 32' ' ' VAL . . . . . . . . 0 C--N 1.314 -0.647 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.593 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.879 0.371 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -34.12 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.25 -39.26 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.6 t -79.36 -31.38 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 44' ' ' LEU . 1.3 tt -59.93 -29.87 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -29.68 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -82.0 -30.97 31.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 43' ' ' VAL . 29.1 t -65.29 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t -101.38 153.55 19.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.89 -32.58 59.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -72.87 -28.5 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -77.54 -30.02 52.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.548 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.11 -24.55 15.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.13 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.39 -46.15 8.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.656 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.18 -33.68 63.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.027 0.441 . . . . 0.0 110.279 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -70.37 -29.76 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.9 -32.01 57.37 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.875 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.671 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.29 -58.46 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.105 0.479 . . . . 0.0 111.658 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -52.66 -20.31 3.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.428 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -100.27 -58.28 1.94 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.102 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.16 -40.92 62.25 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.228 0.537 . . . . 0.0 110.189 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.671 HG23 ' HA ' ' A' ' 11' ' ' ALA . 16.9 t -84.43 -42.63 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.508 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.26 96.41 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.975 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.1 -46.3 7.71 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.499 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 22' ' ' GLY . 4.6 tp -75.45 -42.64 52.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 111.08 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.58 -14.75 58.36 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.232 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -86.48 -59.07 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.127 0.489 . . . . 0.0 111.052 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.66 -12.69 59.81 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.8 8.68 27.76 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 113.976 -1.465 . . . . 0.0 110.725 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -54.42 -30.24 51.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.204 0.526 . . . . 0.0 110.227 -179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -56.77 -27.04 58.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.1 -41.19 35.95 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.44 0.638 . . . . 0.0 109.886 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.444 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 41.3 t -50.98 -30.59 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.031 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.32 -49.96 44.07 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -72.29 -8.86 57.17 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.546 178.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 16.4 mt -103.13 -9.99 19.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.811 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -82.59 -25.95 32.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.78 -8.93 29.92 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.778 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.3 t -65.47 -123.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -47.03 -34.46 7.6 Favored Glycine 0 C--N 1.316 -0.565 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.93 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -68.98 -28.91 67.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.9 -11.4 53.28 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.764 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.78 -27.03 60.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 110.695 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.71 -58.12 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -68.0 -21.87 65.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.583 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.73 -40.1 94.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 36' ' ' ALA . 25.3 t -78.52 -32.09 16.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -61.25 -30.54 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.4 -39.39 59.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.38 -31.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.973 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.35 -30.04 71.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -28.48 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 m -81.91 -30.65 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.39 -31.2 52.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.882 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 175.87 8.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.28 -42.48 62.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.8 mt -72.77 -23.12 60.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.032 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -77.58 -30.8 52.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.398 . . . . 0.0 110.313 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -100.04 -26.52 13.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.65 -48.33 13.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.773 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.16 -31.74 62.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 0.0 110.404 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.35 -37.14 74.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.86 -32.04 57.41 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 121.058 -0.592 . . . . 0.0 111.82 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.67 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.39 -58.53 3.24 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.117 0.484 . . . . 0.0 111.594 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -55.23 -19.42 8.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.346 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -99.25 -58.19 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.12 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.587 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.03 -42.43 60.32 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.218 0.532 . . . . 0.0 109.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.67 HG23 ' HA ' ' A' ' 11' ' ' ALA . 6.8 t -84.6 -38.51 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.377 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.69 -33.24 86.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.212 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.88 -37.71 21.78 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.472 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 14' ' ' ALA . 3.6 mp -81.63 -44.48 17.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -67.08 -14.73 64.11 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.04 -0.527 . . . . 0.0 113.221 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -86.46 -58.93 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.155 0.502 . . . . 0.0 111.018 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.9 -12.57 59.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.56 10.51 25.94 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.71 178.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -55.66 -33.3 63.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.148 0.499 . . . . 0.0 110.169 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.37 -29.65 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.19 -43.6 28.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.462 0.648 . . . . 0.0 109.836 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.445 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.4 t -51.74 -30.65 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.074 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -70.44 -50.63 36.32 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.5 t0 -72.35 -9.02 57.97 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.585 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.3 mt -103.28 -10.68 18.52 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.828 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.49 -28.13 31.35 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.11 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.76 -8.79 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.62 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.1 t -65.96 -123.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -48.91 -33.34 13.08 Favored Glycine 0 C--N 1.315 -0.59 0 C-N-CA 121.427 -0.416 . . . . 0.0 112.898 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -63.71 -28.58 69.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.55 -15.6 34.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.716 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.84 -27.1 60.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.792 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 33' ' ' GLY . 32.0 t -72.1 -59.73 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.752 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -63.64 -21.83 66.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.61 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.43 -34.96 75.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 36' ' ' ALA . 27.7 t -78.53 -32.85 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.47 -31.08 71.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -37.69 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.36 -31.83 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.984 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.89 -30.5 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.3 p -83.42 -31.55 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.9 t -69.67 -29.94 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.894 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.831 0.348 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -87.41 109.43 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.467 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -77.92 -35.5 50.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.92 -25.52 61.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.6 -30.19 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 0.0 110.476 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.99 -24.84 14.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.282 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.51 -43.92 11.68 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.926 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' HD2' ' A' ' 12' ' ' LYS . 3.8 mm? -73.97 -31.37 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.691 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -48.35 81.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.022 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.96 -32.11 57.13 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.1 -0.571 . . . . 0.0 111.86 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.669 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.47 -58.53 3.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.063 0.459 . . . . 0.0 111.754 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HD2' HD12 ' A' ' 8' ' ' LEU . 12.6 mttt -54.64 -19.97 7.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.521 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -97.75 -58.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.079 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.619 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.04 -42.32 60.47 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.25 0.548 . . . . 0.0 109.945 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.669 HG23 ' HA ' ' A' ' 11' ' ' ALA . 5.9 t -84.52 -43.1 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.5 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.61 -37.47 93.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.94 -32.67 35.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.627 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 22' ' ' GLY . 18.4 mt -82.66 -46.4 13.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 111.06 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.7 -14.87 61.2 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.239 -0.505 . . . . 0.0 113.311 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -86.53 -59.04 2.39 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.113 0.482 . . . . 0.0 111.032 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.55 -12.68 59.85 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.14 9.47 27.01 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.65 178.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -54.61 -32.28 58.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.223 0.535 . . . . 0.0 110.192 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.86 -29.85 56.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.114 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.09 -44.9 24.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 109.663 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.7 t -53.02 -32.67 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.78 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.37 -48.91 54.11 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -70.2 -9.44 55.8 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.485 178.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HA ' HG23 ' A' ' 32' ' ' VAL . 27.5 mt -103.2 -11.84 17.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.735 178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.54 -22.4 34.99 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.161 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.63 -8.1 23.28 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.679 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 33' ' ' GLY . 13.7 t -65.17 -123.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -45.48 -37.22 6.38 Favored Glycine 0 C--N 1.316 -0.561 0 C-N-CA 121.392 -0.432 . . . . 0.0 112.95 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.46 -33.48 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.39 8.1 66.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.843 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.69 -26.95 61.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.956 0.407 . . . . 0.0 110.701 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.35 -52.67 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -76.44 -21.72 55.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.675 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.3 m-20 -58.29 -29.22 65.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.59 -37.49 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -30.84 70.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.37 -34.21 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.42 -31.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.56 -29.1 66.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.89 -28.49 67.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -80.68 -30.33 36.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 43' ' ' VAL . 34.8 t -62.05 -31.0 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.561 HD23 ' OXT' ' A' ' 48' ' ' LEU . 8.9 tt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.811 0.338 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -79.26 151.94 30.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.527 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -59.93 -27.53 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.72 -31.13 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -77.63 -30.43 52.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.393 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -91.56 -30.52 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.88 -37.06 23.63 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.27 -32.03 62.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.993 0.425 . . . . 0.0 110.255 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -70.29 -29.92 66.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.814 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.98 -32.11 57.09 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.752 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.674 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.26 -58.46 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.17 0.509 . . . . 0.0 111.607 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -20.88 2.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.29 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -101.65 -58.27 1.92 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.05 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.593 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.0 -39.13 63.84 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.108 0.48 . . . . 0.0 110.26 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 11' ' ' ALA . 26.1 t -84.3 -48.21 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.392 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.24 -45.59 90.58 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.0 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.41 -64.73 1.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.936 -0.649 . . . . 0.0 113.209 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -78.07 -37.06 47.46 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 15' ' ' VAL . . . -62.45 -14.69 50.13 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.458 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -86.0 -58.9 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.089 0.471 . . . . 0.0 110.948 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.1 mt -80.15 -12.68 59.63 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.12 9.64 29.17 Favored Glycine 0 N--CA 1.437 -1.234 0 CA-C-N 113.928 -1.487 . . . . 0.0 110.552 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.22 -30.34 49.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.122 0.487 . . . . 0.0 110.329 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.34 -33.44 53.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.34 -43.55 27.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.491 0.662 . . . . 0.0 109.88 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.479 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.1 t -49.18 -28.13 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.197 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.84 -50.2 45.06 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -73.05 -8.96 58.07 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.607 178.236 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 25.5 mt -103.18 -9.77 19.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.871 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.58 -32.38 28.49 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.104 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -88.7 -9.28 52.57 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.662 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.9 t -66.0 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -54.94 -27.11 43.61 Favored Glycine 0 C--N 1.314 -0.665 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.71 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -74.76 -30.16 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.26 6.74 81.05 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.884 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.96 -27.12 60.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.94 0.4 . . . . 0.0 110.749 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.51 -59.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -65.02 -21.88 66.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.554 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.1 m-20 -64.8 -33.4 75.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.5 t -75.85 -38.13 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -29.73 68.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.86 -37.02 49.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.2 t -79.4 -33.06 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.001 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.61 -30.69 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.968 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.16 -29.65 70.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -86.1 -39.14 17.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -60.96 -32.23 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 47' ' ' VAL . 3.9 mm? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m 60.72 97.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.2 -29.01 57.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.99 -26.11 64.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.58 -29.75 52.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.527 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -95.8 -29.8 14.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.051 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.76 -39.74 20.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.15 -31.38 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.916 0.389 . . . . 0.0 110.565 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.52 -33.35 72.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.02 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.87 -32.07 57.37 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.003 -0.617 . . . . 0.0 111.859 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.661 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.4 -58.42 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.477 . . . . 0.0 111.72 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -54.46 -19.52 5.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.401 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.592 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -99.52 -58.3 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.137 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.592 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.05 -42.64 59.94 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.236 0.541 . . . . 0.0 109.917 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 11' ' ' ALA . 9.3 t -84.53 -35.84 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.452 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.81 -31.03 77.12 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.097 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.94 -46.1 7.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.585 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -81.47 -39.45 24.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.805 ' HA2' HG21 ' A' ' 26' ' ' VAL . . . -64.89 -14.66 58.98 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.342 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -86.44 -58.98 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.131 0.491 . . . . 0.0 111.13 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.14 -12.22 59.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -112.57 9.66 26.05 Favored Glycine 0 N--CA 1.437 -1.262 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.684 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 29.8 tttp -55.0 -32.6 61.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.189 0.518 . . . . 0.0 110.315 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -50.54 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.284 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.24 -42.81 30.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.559 0.695 . . . . 0.0 109.968 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.805 HG21 ' HA2' ' A' ' 19' ' ' GLY . 42.7 t -56.62 -21.26 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.292 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -50.68 58.22 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -73.89 -8.87 57.7 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.664 178.445 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 18.2 mt -103.02 -6.9 21.87 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.906 178.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -39.73 21.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.866 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -12.5 59.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.625 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 33' ' ' GLY . 10.1 t -65.9 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.065 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -63.34 -24.29 67.33 Favored Glycine 0 C--N 1.312 -0.767 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.478 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -33.42 66.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.823 0.344 . . . . 0.0 110.709 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.86 -17.62 78.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.592 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.87 -27.12 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.963 0.411 . . . . 0.0 110.692 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.0 t -70.72 -55.01 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.467 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -69.18 -21.9 63.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.485 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.64 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -61.74 -36.72 81.81 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.6 t -71.6 -44.92 69.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -61.11 -31.13 70.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -38.29 66.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 39' ' ' ASP . 28.6 t -79.51 -32.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.794 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -30.18 70.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.42 -30.18 68.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.4 m -82.87 -34.01 26.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.27 -31.65 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.873 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.77 158.73 43.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.2 -36.79 84.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 tp -71.8 -21.14 61.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.45 -31.77 54.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 110.268 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -98.03 -29.68 13.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.03 -48.78 24.9 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.583 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' A' ' 8' ' ' LEU . 6.0 tp -74.36 -34.86 63.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.062 0.458 . . . . 0.0 110.354 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -70.33 -30.51 67.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.76 -32.0 57.67 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.861 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.675 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.4 -58.45 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.101 0.476 . . . . 0.0 111.608 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -54.83 -19.76 7.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.473 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.613 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.71 -58.24 2.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.105 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.613 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -73.91 -42.14 61.07 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.309 0.576 . . . . 0.0 109.984 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG23 ' HA ' ' A' ' 11' ' ' ALA . 6.4 t -84.49 -41.65 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.521 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.72 -35.37 85.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.403 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.552 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -79.85 -37.29 23.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.643 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -79.58 -46.94 16.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.731 ' HA2' HG21 ' A' ' 26' ' ' VAL . . . -65.82 -14.75 61.28 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 121.217 -0.516 . . . . 0.0 113.32 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -86.58 -59.08 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.142 0.496 . . . . 0.0 111.173 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 17' ' ' GLY . 1.4 mp -80.45 -11.73 59.64 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -113.44 10.04 24.13 Favored Glycine 0 N--CA 1.438 -1.208 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.637 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.81 -34.06 62.28 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.232 0.539 . . . . 0.0 110.067 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.5 -41.96 91.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.24 -44.15 26.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.511 0.672 . . . . 0.0 109.764 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.731 HG21 ' HA2' ' A' ' 19' ' ' GLY . 48.1 t -53.23 -25.56 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.122 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -53.21 17.07 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -75.8 -8.88 57.94 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.757 178.492 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 76.3 mt -103.2 -8.49 20.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.997 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.69 -33.81 27.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.939 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -86.95 -10.73 52.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.719 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.1 t -65.81 -123.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.486 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -63.05 -24.74 67.31 Favored Glycine 0 C--N 1.313 -0.701 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.535 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -65.19 -30.02 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.05 -15.56 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.677 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -26.98 60.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.921 0.391 . . . . 0.0 110.744 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 33' ' ' GLY . 30.4 t -71.61 -59.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.56 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -62.17 -21.83 65.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.548 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 43' ' ' VAL . 24.0 t70 -61.18 -42.15 98.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.85 -31.89 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -29.39 70.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.993 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.93 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.01 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.4 t -79.42 -32.2 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -67.07 -25.48 66.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.8 -35.0 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.9 t -77.52 -31.01 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -76.45 88.56 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -36.01 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.91 -29.09 62.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -77.56 -29.68 52.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 -29.58 13.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.022 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.87 -41.27 23.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.605 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.4 tt -74.1 -31.36 62.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 110.388 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -35.93 78.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.95 -32.26 56.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.748 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.557 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.11 -40.35 65.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.978 0.418 . . . . 0.0 111.374 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -73.2 -18.35 61.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.949 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.639 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -103.59 -58.37 1.89 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -178.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.639 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.14 -44.42 53.77 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.112 0.482 . . . . 0.0 110.597 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.557 HG23 ' HA ' ' A' ' 11' ' ' ALA . 4.0 t -84.5 -38.95 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.761 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . -62.12 -33.81 87.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.173 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.03 -30.88 40.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.436 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.6 tt -84.62 -46.52 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 111.068 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.756 ' HA2' HG21 ' A' ' 26' ' ' VAL . . . -66.93 -14.86 63.98 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.993 -0.548 . . . . 0.0 113.263 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -86.82 -59.02 2.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.234 0.54 . . . . 0.0 111.042 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.6 -11.06 59.89 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -114.1 6.28 23.54 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.813 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 21.8 tttp -52.14 -31.09 29.59 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.311 0.577 . . . . 0.0 110.052 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -58.92 -46.17 88.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.168 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.38 -46.58 19.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.45 0.643 . . . . 0.0 110.021 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.756 HG21 ' HA2' ' A' ' 19' ' ' GLY . 50.6 t -49.12 -30.31 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.443 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.55 -51.84 25.8 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 m-20 -73.42 -8.69 56.93 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.724 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 65.6 mt -102.98 -8.78 20.36 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.888 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -82.66 -30.21 29.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.126 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.57 -9.01 42.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.786 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.71 -123.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.757 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -57.35 -27.17 57.68 Favored Glycine 0 C--N 1.315 -0.619 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.716 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -28.77 70.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.36 -20.76 26.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.554 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.93 -27.22 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.979 0.419 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 33' ' ' GLY . 22.0 t -75.89 -59.67 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.778 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -60.41 -21.92 62.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.696 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.404 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.8 m-20 -68.9 -38.71 79.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 HD13 ' A' ' 44' ' ' LEU . 28.4 t -78.51 -33.51 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -61.27 -31.04 70.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.91 -35.15 59.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.7 t -79.51 -32.34 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.648 HD13 HG12 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -74.36 -30.47 62.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.2 -27.56 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -31.11 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -77.33 -30.46 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.788 0.328 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -119.22 113.53 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.97 -42.88 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.53 -23.29 61.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -77.47 -29.71 52.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.996 0.427 . . . . 0.0 110.426 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -99.01 -28.61 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.72 -42.39 21.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.669 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp -74.24 -33.62 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.043 0.449 . . . . 0.0 110.303 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -70.29 -23.8 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.79 -31.89 57.73 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.993 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.69 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.32 -58.44 3.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.103 0.478 . . . . 0.0 111.621 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -19.48 6.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.502 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.621 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.79 -58.22 2.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.151 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -73.97 -41.51 61.84 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 121.211 0.529 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.69 HG23 ' HA ' ' A' ' 11' ' ' ALA . 6.0 t -84.56 -39.3 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.449 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.43 -33.63 72.91 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.358 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.89 -43.49 9.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.648 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' GLY . 9.8 mp -85.6 -41.52 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.749 0.309 . . . . 0.0 111.127 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.59 -14.88 60.98 Favored Glycine 0 CA--C 1.521 0.443 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.211 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.73 -59.04 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.135 0.493 . . . . 0.0 111.144 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.78 -12.41 59.78 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.74 9.92 25.65 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.704 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 7.3 tttt -55.2 -32.73 62.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.191 0.519 . . . . 0.0 110.243 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.72 -28.89 58.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.137 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.1 -43.97 27.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.521 0.677 . . . . 0.0 109.739 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.5 t -51.7 -29.27 10.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.074 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -70.72 -51.31 28.27 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.8 t70 -72.02 -9.74 58.8 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.536 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 91.3 mt -103.2 -10.41 18.81 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.854 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.65 -30.69 29.18 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.057 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -10.05 47.02 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.545 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.1 t -66.39 -123.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -69.87 -17.98 73.88 Favored Glycine 0 C--N 1.313 -0.704 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.612 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -75.13 -30.54 60.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.54 -10.98 49.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.813 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.86 -26.96 60.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.932 0.396 . . . . 0.0 110.838 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.85 -59.75 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.726 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -66.68 -21.78 66.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.47 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.77 -43.19 80.41 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 36' ' ' ALA . 26.9 t -78.51 -38.06 21.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -60.29 -28.55 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.79 -39.28 57.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.062 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.4 t -79.43 -34.02 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -31.74 69.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.022 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -80.86 -23.91 38.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.1 m -85.46 -31.37 22.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 43' ' ' VAL . 23.4 t -88.07 -31.6 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.908 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.778 0.323 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -170.16 94.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.7 -44.48 61.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -22.11 63.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.62 -29.7 51.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.928 0.394 . . . . 0.0 110.429 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.9 -26.4 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.247 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.08 -43.91 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.735 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -31.4 62.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 0.0 110.57 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -63.07 -38.73 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.057 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.89 -32.34 57.0 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.739 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 15' ' ' VAL . . . -73.79 -58.42 3.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.116 0.484 . . . . 0.0 111.613 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -18.67 13.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.75 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.608 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -93.45 -58.58 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.739 -179.228 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.608 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.47 -45.5 45.77 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.383 0.611 . . . . 0.0 109.875 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' GLY . 6.0 t -84.58 -44.6 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.75 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.79 -28.06 72.88 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.407 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.92 -58.88 2.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.704 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -85.76 -39.07 17.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.709 0.29 . . . . 0.0 111.455 -179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.83 -14.87 59.19 Favored Glycine 0 CA--C 1.521 0.458 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.675 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -86.59 -59.04 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.118 0.485 . . . . 0.0 111.247 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.4 mt -80.55 -11.95 59.59 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -113.27 11.51 24.16 Favored Glycine 0 N--CA 1.437 -1.272 0 CA-C-N 114.081 -1.418 . . . . 0.0 110.628 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 14.6 tttm -56.12 -34.25 65.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.234 0.54 . . . . 0.0 109.95 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -33.46 75.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.749 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.25 -40.77 36.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.476 0.655 . . . . 0.0 109.779 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 22' ' ' GLY . 48.4 t -48.95 -30.9 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.166 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -70.4 -50.04 42.78 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.7 t0 -71.88 -8.76 56.31 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.501 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 86.6 mt -102.98 -9.75 19.55 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.823 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.52 -29.22 30.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.094 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -92.28 -9.82 40.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.63 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 28' ' ' ASP . 11.4 t -65.88 -123.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -66.54 -22.37 71.42 Favored Glycine 0 C--N 1.314 -0.655 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.61 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -75.24 -30.18 60.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.14 -7.02 80.96 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.823 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.8 -26.97 60.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.0 110.777 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 t -68.93 -59.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.6 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -63.2 -21.79 66.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.43 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.25 -31.03 70.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.5 t -64.52 -32.58 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -30.05 65.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.71 -33.5 25.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 47' ' ' VAL . 28.8 t -79.36 -31.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -29.93 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -68.27 -30.45 69.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.9 p -82.61 -31.62 28.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.5 t -65.16 -32.15 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.913 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.836 0.35 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -118.16 43.12 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 tt -72.66 -33.31 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -72.76 -23.56 60.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -31.44 53.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.952 0.406 . . . . 0.0 110.312 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -97.64 -29.07 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.78 -44.82 30.1 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.541 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.39 -40.32 62.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.194 0.521 . . . . 0.0 110.038 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -70.47 -34.61 72.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -75.05 -31.94 57.1 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.838 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.644 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.14 -58.51 3.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.104 0.478 . . . . 0.0 111.512 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -51.59 -20.47 1.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.334 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -102.95 -58.43 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.01 -39.61 63.48 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.175 0.512 . . . . 0.0 110.287 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.644 HG23 ' HA ' ' A' ' 11' ' ' ALA . 33.1 t -84.36 -44.85 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.428 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.23 -41.05 99.38 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.82 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.17 -57.72 2.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.636 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.2 tt -68.75 -42.15 77.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.845 0.355 . . . . 0.0 111.265 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.46 -14.74 58.04 Favored Glycine 0 CA--C 1.522 0.479 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.369 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.37 -59.1 2.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.117 0.484 . . . . 0.0 111.079 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.1 -12.49 59.67 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.42 10.6 26.25 Favored Glycine 0 N--CA 1.438 -1.217 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.714 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 4.2 ttpp -56.04 -33.36 64.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.203 0.525 . . . . 0.0 110.206 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.4 -31.03 65.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.986 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.24 -45.05 23.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.481 0.657 . . . . 0.0 109.772 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.7 t -51.27 -31.6 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.064 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -70.25 -50.01 44.14 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -71.48 -8.88 56.7 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.579 178.213 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 49.4 mt -103.11 -10.76 18.59 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.791 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.47 -26.96 32.16 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.209 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.5 -9.57 34.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.588 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.8 t -65.91 -123.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -52.81 -25.84 23.9 Favored Glycine 0 C--N 1.315 -0.622 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.552 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -32.09 61.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.365 . . . . 0.0 110.797 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.72 -2.97 61.12 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.849 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.8 -27.04 60.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.955 0.407 . . . . 0.0 110.689 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.89 -59.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.628 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -63.13 -21.88 66.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.531 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -33.61 72.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -77.23 -31.18 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -37.84 60.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.1 t -79.52 -32.6 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.715 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 tt -70.04 -30.12 67.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -68.16 -25.57 65.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -83.88 -30.71 26.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.7 t -78.98 -32.07 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.801 0.334 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.87 35.45 4.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 tt -66.3 -35.53 80.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -28.25 66.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.45 -29.69 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.406 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -30.31 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.033 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.84 -40.25 9.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.68 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.749 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -74.2 -31.41 62.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.008 0.432 . . . . 0.0 110.438 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -69.86 -39.4 76.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.043 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.518 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.99 -32.23 56.93 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.837 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.627 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.62 -58.54 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.063 0.459 . . . . 0.0 111.681 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.28 -20.85 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.611 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -96.04 -58.38 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.141 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.619 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.14 -42.5 59.89 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.325 0.583 . . . . 0.0 109.976 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' A' ' 11' ' ' ALA . 5.6 t -84.66 -48.19 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.633 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.68 -43.29 52.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.02 -57.62 2.98 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.907 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 tp -85.74 -40.57 15.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.689 0.281 . . . . 0.0 111.713 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -64.59 -14.91 58.72 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.711 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -86.69 -59.12 2.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.156 0.503 . . . . 0.0 111.188 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.77 -12.57 59.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.88 11.35 25.05 Favored Glycine 0 N--CA 1.438 -1.196 0 CA-C-N 113.966 -1.47 . . . . 0.0 110.668 178.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 20.7 tttp -56.37 -34.57 66.78 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.178 0.514 . . . . 0.0 110.052 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.15 -35.71 77.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.778 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.24 -39.39 40.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.441 0.639 . . . . 0.0 109.822 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.568 HG12 ' OE1' ' A' ' 30' ' ' GLU . 51.2 t -51.46 -26.65 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.326 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.06 -52.95 16.54 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -75.69 -8.79 57.7 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.755 178.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 69.5 mt -103.26 -9.57 19.43 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.927 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' OE1' HG12 ' A' ' 26' ' ' VAL . 4.3 mt-10 -82.6 -28.24 30.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.108 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.42 -10.22 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.672 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.3 t -65.58 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -64.11 -22.47 66.99 Favored Glycine 0 C--N 1.314 -0.694 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.555 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -63.13 -29.98 71.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.97 -14.03 56.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.721 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.89 -26.97 60.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.938 0.399 . . . . 0.0 110.77 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.28 -59.72 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -66.43 -21.74 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.466 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.58 -33.59 75.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.6 t -71.29 -31.78 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -59.86 -30.64 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -37.88 55.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.37 -31.81 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -60.82 -30.36 70.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.24 -31.34 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.72 -31.63 28.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.65 -31.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.872 0.368 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -161.16 -176.03 5.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -36.98 81.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.5 mt -72.76 -32.58 65.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -30.96 53.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.486 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -90.38 -31.52 16.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.53 -38.35 24.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.546 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -74.21 -32.59 63.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.059 0.457 . . . . 0.0 110.303 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -70.34 -33.79 71.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.88 -32.1 57.31 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.081 -0.58 . . . . 0.0 111.859 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.675 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.41 -58.2 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.036 0.446 . . . . 0.0 111.615 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -55.85 -18.61 9.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.61 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.24 -58.34 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.202 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.618 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.17 -42.71 59.45 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.304 0.573 . . . . 0.0 109.89 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG23 ' HA ' ' A' ' 11' ' ' ALA . 3.7 t -84.56 -43.89 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.556 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.92 -37.69 63.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.89 -26.78 57.81 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.544 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 22.7 mt -85.65 -37.59 19.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 111.128 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -81.67 -15.14 76.48 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.106 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -86.79 -58.93 2.42 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.203 0.525 . . . . 0.0 110.958 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -80.25 -13.11 59.48 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -112.22 11.03 26.63 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.696 178.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -55.83 -32.78 63.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.132 0.491 . . . . 0.0 110.214 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -53.46 -37.28 62.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.037 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.23 -41.12 35.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.476 0.655 . . . . 0.0 109.717 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 51.7 t -52.51 -28.89 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.031 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -69.91 -50.73 39.3 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.8 m-20 -72.26 -8.9 57.37 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.538 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 37.1 mt -103.04 -8.45 20.57 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.66 -36.22 26.17 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.023 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.53 -11.19 57.71 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.582 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 33' ' ' GLY . 10.7 t -66.18 -123.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.035 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.566 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -70.97 -18.03 75.98 Favored Glycine 0 C--N 1.313 -0.721 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.541 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -71.23 -34.81 71.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.903 0.383 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.08 -24.2 69.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.593 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.74 -26.99 60.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.754 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 33' ' ' GLY . 21.4 t -72.52 -53.94 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.656 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -68.6 -21.82 64.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.55 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.733 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.8 t70 -59.95 -30.29 68.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.18 -42.83 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -68.85 -34.78 76.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.67 -39.95 84.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 39' ' ' ASP . 31.9 t -79.32 -29.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 44' ' ' LEU . 11.5 tp -54.95 -28.62 52.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -65.15 -33.19 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -87.24 -36.31 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.5 t -59.21 -30.07 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.798 0.332 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -108.52 148.17 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.93 -26.18 65.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.77 -44.51 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 -29.74 52.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.601 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -87.22 -28.82 22.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.055 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -39.97 9.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.599 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.9 tt -74.19 -31.39 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.391 . . . . 0.0 110.504 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.05 -25.29 67.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.141 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.8 -32.15 57.4 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.827 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.587 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.6 -58.45 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.083 0.468 . . . . 0.0 111.596 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -55.66 -20.12 12.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.664 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -94.54 -58.5 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.063 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.21 -42.67 59.4 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.388 0.613 . . . . 0.0 109.805 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG23 ' HA ' ' A' ' 11' ' ' ALA . 3.6 t -84.6 -50.48 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.389 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.25 -33.61 87.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.39 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.05 -57.27 3.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.865 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -85.58 -41.73 15.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.689 0.281 . . . . 0.0 111.688 -179.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -63.56 -14.93 56.49 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 121.005 -0.617 . . . . 0.0 113.58 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -86.76 -59.04 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.095 0.474 . . . . 0.0 111.174 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.5 mt -79.48 -12.71 59.87 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.4 10.36 26.32 Favored Glycine 0 N--CA 1.438 -1.233 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.688 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 14.8 ttpt -56.21 -34.0 65.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.153 0.501 . . . . 0.0 110.246 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -56.01 -37.45 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.063 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.19 -42.58 31.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 109.812 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.5 t -50.86 -29.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.319 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.57 -51.31 29.31 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -73.98 -8.85 57.63 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.638 178.385 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 68.1 mt -103.29 -10.06 19.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.96 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.55 -29.59 30.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.088 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -91.39 -10.05 42.55 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.658 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.81 -123.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -70.05 -18.46 74.66 Favored Glycine 0 C--N 1.314 -0.683 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.856 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -30.22 70.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.37 -20.56 48.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.622 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -27.01 60.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLY . 28.8 t -67.27 -59.66 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.561 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -64.21 -21.78 66.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.326 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -35.26 78.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.87 -33.93 61.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -34.04 76.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -39.58 71.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 -32.21 14.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.78 -29.14 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -60.28 -30.11 69.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -83.88 -33.1 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.51 -34.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -166.59 175.77 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -28.26 69.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mt -72.67 -30.25 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.96 -29.63 49.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.193 0.521 . . . . 0.0 110.122 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -90.62 -32.23 16.34 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.03 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.3 -40.87 14.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.566 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.8 tt -74.14 -31.34 62.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.02 0.438 . . . . 0.0 110.538 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.47 -31.89 72.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.035 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.547 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.86 -32.16 57.27 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.865 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.491 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.69 -58.33 3.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.131 0.491 . . . . 0.0 111.663 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -57.96 -18.67 25.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.708 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.607 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -92.68 -58.49 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.803 -179.198 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.47 -43.74 54.71 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.377 0.608 . . . . 0.0 109.811 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 11' ' ' ALA . 2.7 t -84.67 -54.96 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.667 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.6 -47.49 29.68 Favored Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.809 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.54 -27.6 73.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.534 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -85.68 -39.5 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.8 0.334 . . . . 0.0 111.075 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 23' ' ' LYS . . . -81.61 -15.14 76.61 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.11 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -86.87 -59.04 2.37 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.254 0.549 . . . . 0.0 110.988 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.02 -13.11 59.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -112.91 12.24 24.76 Favored Glycine 0 N--CA 1.437 -1.235 0 CA-C-N 114.119 -1.401 . . . . 0.0 110.757 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -57.71 -34.9 69.96 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.234 0.54 . . . . 0.0 110.219 -179.747 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.68 -37.28 75.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.448 -0.797 . . . . 0.0 111.132 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.3 -46.6 19.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.536 0.684 . . . . 0.0 109.887 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 53.4 t -51.86 -30.45 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.186 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.44 -51.23 30.79 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -72.79 -8.99 58.12 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.636 178.388 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 43.5 mt -103.27 -9.87 19.18 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.913 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -30.2 29.93 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.075 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -91.24 -9.77 44.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.73 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -65.97 -123.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -59.36 -28.1 64.12 Favored Glycine 0 C--N 1.313 -0.714 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.461 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -75.28 -31.35 60.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.96 -6.14 87.04 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.856 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.95 60.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.27 -49.32 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.487 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -72.43 -21.82 61.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.491 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.34 -31.15 67.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.07 -36.82 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -59.89 -33.8 72.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -73.82 -35.76 64.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 47' ' ' VAL . 27.1 t -79.41 -32.23 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.804 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -29.8 68.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -29.37 67.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.1 t -84.19 -30.76 25.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.3 t -79.27 -31.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.811 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.822 0.344 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.55 173.06 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.68 -29.5 70.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.69 -30.44 64.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -29.7 52.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.451 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -32.42 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.016 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.19 -43.02 22.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.55 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.12 -31.42 62.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.8 -40.6 93.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.988 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.503 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.86 -32.2 57.22 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.841 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.632 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.52 -58.49 3.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.149 0.5 . . . . 0.0 111.602 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -56.1 -19.01 11.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.532 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.606 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -97.65 -58.34 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.219 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.19 -42.87 59.14 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.292 0.568 . . . . 0.0 109.888 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 11' ' ' ALA . 4.1 t -84.69 -41.02 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.477 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.21 -34.51 88.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.89 -37.3 22.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.641 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -85.69 -44.89 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 111.246 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -66.75 -14.92 63.67 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.08 -0.581 . . . . 0.0 113.412 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -86.78 -59.06 2.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.181 0.515 . . . . 0.0 111.022 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.1 mt -79.15 -12.95 59.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.18 9.09 26.95 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 114.052 -1.431 . . . . 0.0 110.777 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 2.5 ttpt -55.18 -31.84 61.7 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.25 0.548 . . . . 0.0 110.306 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.38 -28.31 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.225 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.92 -43.46 29.88 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.479 0.657 . . . . 0.0 109.64 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -53.12 -32.03 18.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.849 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.32 -49.63 47.45 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.6 t0 -70.62 -9.39 56.85 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.538 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.489 ' HA ' HG23 ' A' ' 32' ' ' VAL . 32.6 mt -103.12 -11.47 18.05 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.604 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.59 -17.4 44.92 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.235 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -107.33 -7.99 16.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 29' ' ' LEU . 12.1 t -65.43 -123.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -53.44 -31.71 43.98 Favored Glycine 0 C--N 1.315 -0.592 0 C-N-CA 121.39 -0.433 . . . . 0.0 113.033 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -34.3 74.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.13 7.75 44.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.784 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.79 -27.01 60.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.979 0.419 . . . . 0.0 110.787 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.93 -59.68 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.664 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -62.82 -21.83 66.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.496 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.528 ' O ' HG23 ' A' ' 43' ' ' VAL . 11.5 t70 -67.4 -30.79 70.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 36' ' ' ALA . 27.1 t -75.55 -35.52 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.077 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -61.7 -31.24 71.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -77.46 -37.3 51.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 t -79.32 -31.23 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.13 -29.33 69.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.27 -40.61 86.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.4 m -85.56 -37.26 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 43' ' ' VAL . 28.2 t -64.1 -30.81 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.94 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.811 0.339 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.47 151.67 29.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -67.9 -28.75 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.4 -26.66 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.059 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -77.51 -29.74 52.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.979 0.418 . . . . 0.0 110.345 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.28 -28.79 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.15 -38.93 17.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.699 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -74.42 -38.77 62.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.113 0.482 . . . . 0.0 110.086 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -70.39 -36.25 73.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.9 -32.06 57.31 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.88 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.655 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.08 -58.56 3.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.115 0.484 . . . . 0.0 111.57 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -51.08 -20.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.159 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HG3' ' H ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -103.9 -58.02 1.94 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.066 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.577 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -73.84 -39.48 63.99 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.134 0.493 . . . . 0.0 110.292 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' HA ' ' A' ' 11' ' ' ALA . 47.2 t -84.41 -43.87 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.396 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.6 -40.52 66.66 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.893 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.18 -60.54 2.37 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.809 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.4 mp -85.65 -40.92 15.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 0.0 111.643 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -61.96 -14.72 46.75 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.377 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -86.29 -59.02 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.116 0.484 . . . . 0.0 111.078 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 mt -80.08 -12.62 59.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.45 8.68 28.47 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 113.945 -1.48 . . . . 0.0 110.708 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.4 -29.72 49.85 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.078 0.466 . . . . 0.0 110.408 -179.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -31.02 40.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.006 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.21 -42.94 29.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 109.602 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.2 t -53.52 -27.14 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.13 -51.35 32.17 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.21 -8.86 57.64 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.642 178.383 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 55.9 mt -103.28 -10.11 18.98 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.889 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -82.57 -28.87 30.66 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.126 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -92.61 -9.59 40.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.681 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.7 t -65.89 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.007 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -55.33 -30.47 55.28 Favored Glycine 0 C--N 1.315 -0.608 0 C-N-CA 121.279 -0.486 . . . . 0.0 112.684 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -74.08 -28.77 61.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.85 7.84 80.96 Favored Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.751 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.687 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.76 -26.97 60.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.801 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.1 t -70.0 -56.32 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.619 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.37 -21.84 63.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.554 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.09 -34.3 77.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 36' ' ' ALA . 21.3 t -63.56 -32.67 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -60.27 -30.62 69.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -75.77 -37.12 59.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.4 -31.77 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -30.01 70.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.62 -31.34 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -31.45 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' VAL . 31.1 t -61.9 -30.27 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.821 0.343 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.37 86.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.93 -30.56 58.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.76 -31.47 64.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.65 -30.22 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.475 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -93.25 -28.7 16.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.089 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.08 -35.69 20.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.68 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tt -74.13 -32.06 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.317 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -70.25 -39.34 75.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.785 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -75.14 -32.08 56.64 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.74 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.627 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.24 -58.56 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.076 0.465 . . . . 0.0 111.604 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -22.03 1.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.298 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.589 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -100.25 -58.55 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.589 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.22 -40.36 62.49 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 110.402 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' A' ' 11' ' ' ALA . 29.2 t -84.33 -44.67 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.709 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.55 -40.52 94.24 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.117 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.15 -64.5 1.85 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.943 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.7 tp -85.6 -38.47 18.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.701 0.286 . . . . 0.0 111.637 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.432 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -63.62 -14.81 56.15 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 121.144 -0.55 . . . . 0.0 113.497 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -86.46 -58.97 2.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.168 0.508 . . . . 0.0 111.114 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 pp -80.6 -11.13 59.69 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -112.9 6.52 25.68 Favored Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.628 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -52.05 -27.74 14.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.161 0.505 . . . . 0.0 110.208 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -53.27 -34.58 57.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.201 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.32 32.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 109.78 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.441 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 55.0 t -52.7 -28.76 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.008 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.77 -50.22 45.39 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -71.69 -8.86 56.78 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.517 178.23 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 44.1 mt -103.17 -9.68 19.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.812 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.62 -28.87 30.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.094 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.18 -9.24 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.658 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -66.01 -123.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -71.85 -15.7 76.1 Favored Glycine 0 C--N 1.314 -0.666 0 C-N-CA 121.181 -0.533 . . . . 0.0 112.798 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -29.18 65.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.34 -22.13 42.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.652 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.06 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.774 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 33' ' ' GLY . 21.7 t -69.94 -59.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 11.7 t60 -61.92 -21.78 65.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.367 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -39.37 85.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.48 -33.13 16.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.181 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -60.34 -31.1 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.23 -36.05 63.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 t -79.41 -31.34 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.3 -28.93 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.78 -25.92 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -85.24 -30.71 23.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.16 -34.52 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.946 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.8 0.333 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.4 129.86 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.536 ' H ' HD12 ' A' ' 3' ' ' LEU . 5.2 mp -72.41 -31.08 65.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.17 -26.51 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -77.52 -29.62 52.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.486 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -97.28 -26.45 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.61 -45.9 7.63 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.884 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.712 HD23 ' HG2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -74.14 -31.34 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.723 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.19 -41.06 87.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.001 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.512 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -75.11 -32.3 56.44 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.834 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.638 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.67 -58.55 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.156 0.503 . . . . 0.0 111.712 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.712 ' HG2' HD23 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -52.36 -20.88 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.497 -179.049 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.618 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -98.77 -58.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -178.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.618 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.25 -41.23 61.62 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.272 0.558 . . . . 0.0 110.18 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.638 HG23 ' HA ' ' A' ' 11' ' ' ALA . 15.9 t -84.41 -46.34 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.633 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.68 -43.14 60.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.401 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.08 -54.17 3.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.031 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -85.6 -41.47 15.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.681 0.277 . . . . 0.0 111.744 -179.292 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' HA2' HG21 ' A' ' 26' ' ' VAL . . . -64.2 -14.77 57.46 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.568 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -86.49 -59.03 2.39 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.089 0.471 . . . . 0.0 111.196 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mt -80.5 -11.9 59.61 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -113.24 11.13 24.31 Favored Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 113.99 -1.459 . . . . 0.0 110.721 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -56.26 -34.05 66.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.241 0.543 . . . . 0.0 110.107 -179.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.48 -37.06 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . . . -78.19 -43.74 27.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.453 0.644 . . . . 0.0 109.826 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 48.8 t -52.04 -29.41 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.084 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -70.4 -51.35 30.26 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.36 -8.88 57.74 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.656 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 42.0 mt -103.31 -10.41 18.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.864 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -82.52 -27.59 31.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.138 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -94.12 -9.63 35.9 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.677 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.4 t -65.93 -123.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -63.42 -24.89 68.05 Favored Glycine 0 C--N 1.313 -0.74 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.586 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -30.1 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.5 -22.19 51.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.578 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.95 -26.98 60.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.968 0.413 . . . . 0.0 110.772 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 33' ' ' GLY . 30.0 t -70.07 -59.64 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.713 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 11.3 t60 -65.89 -21.86 66.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.539 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.52 -32.76 69.15 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.59 -35.29 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -32.51 73.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -38.06 72.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.5 t -79.4 -33.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -31.28 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -29.0 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.13 -35.28 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -63.32 -31.49 52.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.907 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.829 0.347 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -129.98 126.41 37.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.5 tt -77.14 -32.79 56.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.69 -23.82 60.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.57 -29.67 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.408 . . . . 0.0 110.395 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -98.9 -28.55 13.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.57 -42.96 20.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.595 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.531 HD23 ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -74.19 -31.41 62.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.998 0.428 . . . . 0.0 110.435 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -31.86 69.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.94 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.498 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.94 -32.08 57.2 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.836 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.675 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.42 -58.49 3.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.066 0.46 . . . . 0.0 111.691 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.531 ' HG3' HD23 ' A' ' 8' ' ' LEU . 18.8 mttt -52.9 -20.39 3.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.563 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.6 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -99.36 -58.43 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.048 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.6 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.18 -41.33 61.62 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.223 0.535 . . . . 0.0 110.069 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG23 ' HA ' ' A' ' 11' ' ' ALA . 12.3 t -84.45 -44.16 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.517 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.07 -39.35 94.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.206 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -80.06 -47.35 7.12 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.596 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.8 tp -70.4 -46.45 63.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 111.172 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.422 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -65.37 -14.78 60.31 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.279 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -86.46 -58.97 2.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.145 0.498 . . . . 0.0 110.964 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 17' ' ' GLY . 1.2 mp -79.4 -13.31 59.69 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 177.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -111.13 9.93 29.14 Favored Glycine 0 N--CA 1.438 -1.207 0 CA-C-N 113.973 -1.467 . . . . 0.0 110.633 178.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -55.14 -31.6 61.44 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.107 0.479 . . . . 0.0 110.382 -179.725 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.33 -41.48 65.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.114 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.19 -39.27 41.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.483 ' HA ' ' HB2' ' A' ' 29' ' ' LEU . 52.6 t -52.82 -28.39 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.197 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.19 -51.58 29.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.1 t70 -73.62 -8.81 57.45 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.645 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 19.7 mt -103.22 -7.33 21.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.914 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -39.21 22.44 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -10.74 59.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.671 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 33' ' ' GLY . 11.5 t -65.69 -123.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.051 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -74.61 -14.54 81.12 Favored Glycine 0 C--N 1.313 -0.717 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.693 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -73.46 -30.9 63.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.82 -11.06 31.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.757 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.83 -26.86 60.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 33' ' ' GLY . 21.2 t -69.84 -56.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.521 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -67.05 -21.81 65.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.493 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.505 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.1 t70 -67.35 -36.86 82.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' ALA . 30.0 t -62.64 -50.88 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -61.66 -30.63 70.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.94 -42.14 81.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 39' ' ' ASP . 21.9 t -79.41 -31.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -29.93 71.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -27.39 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.75 -30.65 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 43' ' ' VAL . 21.6 t -77.98 -33.42 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.894 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.851 0.357 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.61 128.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -77.88 -32.57 52.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.09 -27.4 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -77.54 -29.6 52.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.503 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -94.91 -30.87 13.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.08 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.56 -40.85 21.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.59 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.625 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -74.19 -31.41 62.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.523 179.784 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -60.39 -30.66 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.018 -179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' A' ' 13' ' ' LYS . . . -74.79 -32.26 57.29 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.822 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.656 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -73.57 -58.36 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.118 0.485 . . . . 0.0 111.603 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -18.67 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.562 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' HD2' ' HB2' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -97.09 -58.32 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.192 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.627 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . . . -74.13 -42.61 59.73 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 121.34 0.59 . . . . 0.0 109.902 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.656 HG23 ' HA ' ' A' ' 11' ' ' ALA . 3.2 t -84.65 -47.66 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.558 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.9 -36.05 41.23 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.664 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.71 -33.41 60.52 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.393 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.544 ' O ' ' HA3' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -85.68 -32.61 21.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CA ' ' A' ' 23' ' ' LYS . . . -81.48 -15.01 77.24 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 121.049 -0.596 . . . . 0.0 113.035 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -86.43 -58.98 2.41 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.201 0.524 . . . . 0.0 110.816 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.52 -14.78 58.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA3' ' O ' ' A' ' 18' ' ' LEU . . . -109.46 10.09 33.04 Favored Glycine 0 N--CA 1.437 -1.238 0 CA-C-N 114.068 -1.423 . . . . 0.0 110.629 177.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' CA ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -54.11 -29.95 46.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.157 0.503 . . . . 0.0 110.295 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.31 -32.21 47.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.04 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.22 -47.75 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 109.656 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.07 -31.11 24.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.769 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.91 -49.92 40.45 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -70.03 -10.67 59.45 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.46 178.218 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' HA ' HG23 ' A' ' 32' ' ' VAL . 34.5 mt -103.23 -11.82 17.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.844 178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.49 -27.72 31.61 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.09 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -93.05 -9.31 40.14 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.604 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 33' ' ' GLY . 12.0 t -66.26 -123.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.467 ' N ' HG12 ' A' ' 32' ' ' VAL . . . -52.11 -33.69 38.07 Favored Glycine 0 C--N 1.314 -0.647 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -75.26 -29.32 60.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.22 7.82 76.64 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.982 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.87 -27.31 61.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.954 0.406 . . . . 0.0 110.587 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.3 t -75.98 -53.62 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.562 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -65.94 -21.81 66.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.599 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -31.72 67.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.57 -32.93 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -34.12 75.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.25 -39.26 89.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.6 t -79.36 -31.38 14.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 44' ' ' LEU . 1.3 tt -59.93 -29.87 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -29.68 65.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -82.0 -30.97 31.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 43' ' ' VAL . 29.1 t -65.29 -31.67 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.886 179.951 . . . . . . . . 0 0 . 1 stop_ save_