data_6ivs_residue ############################ # Computer software used # ############################ 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 6ivs _Structure_validation_residue.Date_analyzed 2019-05-10 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 ' 2' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.3 m120 . . . . . 0 N--CA 1.433 -1.277 0 CA-C-O 121.912 0.863 . . . . 0.0 113.014 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.64 152.43 45.19 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -115.91 129.71 56.52 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.12 156.06 26.58 Favored Glycine 0 CA--C 1.479 -2.188 0 C-N-CA 119.643 -1.265 . . . . 0.0 112.187 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.8 mt -95.04 128.34 46.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.6 mm -66.57 102.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -86.33 -35.41 19.88 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.047 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -162.32 163.21 28.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -125.77 136.42 60.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.88 73.92 1.24 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 -103.11 0.52 Allowed Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.0 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 mmt -95.35 8.21 43.86 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.066 0.46 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -114.58 155.29 26.79 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 141.86 45.15 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -96.96 117.21 41.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.91 128.26 64.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 CA-C-O 121.02 0.438 . . . . 0.0 111.04 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -94.95 102.39 14.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.456 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 35.3 p -70.88 174.62 5.9 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -172.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -66.98 -15.96 64.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.526 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -87.57 -12.32 46.07 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.366 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.6 28.77 37.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.211 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.76 146.59 34.71 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -100.43 113.83 26.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.05 151.03 34.98 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.55 118.65 48.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 pt -122.68 166.07 17.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.59 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 81.5 mtt180 -64.37 134.82 55.36 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -89.39 123.02 33.16 Favored 'General case' 0 C--N 1.284 -2.25 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.763 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.6 mtt180 -98.64 175.33 6.03 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 174.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -71.26 -13.17 61.81 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.17 0.509 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.73 -16.72 59.42 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.897 0.879 . . . . 0.0 110.851 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.2 mpt? -80.57 107.0 13.01 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -173.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -114.3 136.44 52.97 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.03 125.64 23.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 O-C-N 123.134 0.271 . . . . 0.0 110.274 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.72 -28.41 8.54 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.685 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -93.69 151.98 19.28 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 117.778 0.789 . . . . 0.0 112.974 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 64.5 tt0 -86.99 116.3 24.95 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.109 -0.951 . . . . 0.0 108.515 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -110.99 152.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -98.07 116.19 29.79 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 29.1 p90 -123.23 177.26 5.65 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.01 167.26 10.12 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -23.84 52.76 Favored 'General case' 0 CA--C 1.491 -1.326 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.67 -22.53 66.53 Favored 'General case' 0 N--CA 1.416 -2.144 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.92 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 5.8 m-20 -86.63 -12.5 48.34 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 45.4 mt -79.44 128.01 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-O 121.675 0.75 . . . . 0.0 110.485 -174.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.304 -1.372 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.757 178.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m120 . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -112.53 152.35 28.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -114.91 125.75 54.01 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.676 0.274 . . . . 0.0 110.267 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.91 156.46 26.76 Favored Glycine 0 CA--C 1.479 -2.167 0 C-N-CA 120.181 -1.009 . . . . 0.0 111.332 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.9 mt -99.76 130.12 49.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.96 103.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -86.19 -37.88 18.24 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.089 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -159.94 164.74 33.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 mm -120.05 139.96 45.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -127.91 74.59 1.55 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.65 -103.79 0.82 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.506 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 mmt -102.09 11.8 37.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.226 0.536 . . . . 0.0 110.765 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -117.89 159.77 22.54 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.13 142.38 50.23 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -97.74 113.23 31.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.2 128.04 63.97 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 tp -92.23 103.62 16.07 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.1 p -66.29 164.84 15.12 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.236 -175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -66.86 -4.59 9.69 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.431 0.634 . . . . 0.0 111.704 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.71 -10.46 40.08 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.861 0.864 . . . . 0.0 109.743 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 28.03 27.72 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.627 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -115.64 144.87 43.29 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -96.44 113.27 24.84 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -113.5 153.9 27.94 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.648 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -107.75 117.89 54.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.24 165.91 18.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.38 125.22 23.45 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.96 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -81.15 129.54 34.62 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.314 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -105.45 178.91 4.42 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -74.9 -18.59 60.39 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.6 t70 -87.8 -9.31 54.27 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.095 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.62 106.97 0.73 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.753 1.019 . . . . 0.0 113.753 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 42.6 mttp -115.23 136.68 52.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.05 122.81 20.0 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 120.622 0.249 . . . . 0.0 110.732 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.85 -22.51 11.56 Favored Glycine 0 N--CA 1.434 -1.469 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.977 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.7 pt20 -92.85 151.36 20.03 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.004 -0.679 . . . . 0.0 111.53 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 47.4 tt0 -89.29 126.85 35.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 175.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 m -117.5 146.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.21 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 m -91.02 115.71 28.22 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -124.2 167.2 14.6 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -102.68 158.54 16.17 Favored 'General case' 0 C--N 1.257 -3.434 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.626 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 10.9 m-80 -72.76 -15.54 61.66 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 122.501 1.143 . . . . 0.0 109.139 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.45 -20.55 59.98 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.107 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.36 -6.77 43.48 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 43' ' ' ASN . 89.5 mt -70.14 122.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.02 0.438 . . . . 0.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.238 0.475 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.841 -179.15 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.7 m120 . . . . . 0 C--O 1.241 0.649 0 CA-C-O 121.673 0.749 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -131.71 156.54 45.73 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -116.47 130.49 56.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.88 155.98 26.59 Favored Glycine 0 CA--C 1.479 -2.189 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.667 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -95.67 131.76 41.61 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -65.43 101.63 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -83.49 -36.87 23.78 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.551 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -162.11 164.25 28.12 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.158 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -123.76 137.34 57.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.5 77.01 1.67 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.1 -104.93 1.05 Allowed Glycine 0 C--N 1.314 -0.669 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.96 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.1 mmt -99.1 5.08 47.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.201 0.524 . . . . 0.0 110.469 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 86.8 mttt -110.22 156.67 20.35 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.38 44.46 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.33 115.22 41.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 m -106.35 129.52 59.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.318 0.58 . . . . 0.0 110.96 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.4 tp -95.38 104.78 16.69 Favored 'General case' 0 N--CA 1.41 -2.454 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.442 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 23.1 p -65.46 161.42 20.02 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -177.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -63.03 -14.8 52.55 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 123.611 0.764 . . . . 0.0 111.436 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -97.63 5.1 49.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.177 0.991 . . . . 0.0 110.516 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.13 32.86 47.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.23 -0.509 . . . . 0.0 114.078 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -115.92 133.47 55.99 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -92.24 121.05 33.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.84 145.59 44.47 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.58 113.53 35.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 pt -120.0 170.01 10.31 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 CA-C-O 120.989 0.423 . . . . 0.0 110.788 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -68.15 128.61 37.17 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.437 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -82.54 121.17 26.44 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.4 mtt180 -88.93 174.31 8.0 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -78.22 -19.69 53.3 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.16 10.89 27.51 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.475 0.655 . . . . 0.0 111.065 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.407 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -70.21 107.4 3.69 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.438 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 4.2 mppt? -116.34 137.68 51.95 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.78 129.17 31.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 123.275 0.36 . . . . 0.0 110.232 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.0 -15.18 44.28 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.91 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 10.9 pt20 -93.85 147.33 23.17 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.959 -0.696 . . . . 0.0 111.798 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -88.1 118.03 27.39 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.26 153.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -104.68 116.15 31.54 Favored 'General case' 0 N--CA 1.412 -2.365 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 27.0 p90 -121.11 169.69 10.28 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.31 171.06 7.52 Favored 'General case' 0 C--N 1.272 -2.79 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.409 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.38 -14.03 62.39 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.915 0.864 . . . . 0.0 109.16 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -77.89 -13.34 59.92 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.848 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -9.24 36.75 Favored 'General case' 0 CA--C 1.495 -1.167 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.5 mt -78.17 126.61 38.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.886 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.591 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.211 -176.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.3 m120 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 121.29 0.567 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -115.96 159.07 22.1 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.28 137.12 48.44 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.72 155.47 26.3 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.216 176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 27.3 mt -97.9 125.35 51.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.0 mm -63.53 105.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.08 -36.54 15.7 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.038 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -163.86 163.36 23.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -122.32 135.08 63.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 74.79 1.44 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.69 -101.08 0.81 Allowed Glycine 0 C--O 1.242 0.613 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.3 mmt -102.63 5.93 39.4 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.194 0.521 . . . . 0.0 109.806 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -112.83 156.02 23.63 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.25 142.14 45.9 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.02 122.61 48.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.04 128.72 73.24 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.072 0.463 . . . . 0.0 111.694 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.5 tp -88.52 102.16 14.65 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.7 p -72.13 174.55 7.0 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -65.33 -18.77 65.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.449 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -84.91 -10.14 57.4 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.665 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.24 15.68 78.03 Favored Glycine 0 C--O 1.22 -0.774 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.546 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -103.62 138.73 39.88 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -89.0 112.92 23.96 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.72 148.52 32.12 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.697 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.53 119.22 45.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 pt -123.1 167.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.323 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -71.34 127.94 34.24 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.372 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -86.34 130.21 34.59 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.063 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.5 ' NH2' ' HA ' ' A' ' 41' ' ' PHE . 52.2 mtt180 -101.37 -175.02 2.74 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.36 -28.62 64.19 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.303 1.049 . . . . 0.0 109.227 178.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.96 8.24 18.35 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.463 -172.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.09 107.45 18.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 122.196 -0.315 . . . . 0.0 111.783 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -113.55 132.31 55.76 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.76 127.07 29.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.62 -27.47 8.36 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.538 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -93.6 151.46 19.67 Favored 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.928 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 46.0 tt0 -86.95 123.67 32.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 174.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.92 159.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -99.58 121.55 41.36 Favored 'General case' 0 N--CA 1.411 -2.401 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.5 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 44.6 p90 -121.06 157.99 28.82 Favored 'General case' 0 CA--C 1.466 -2.272 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -94.26 173.52 7.6 Favored 'General case' 0 C--N 1.248 -3.813 0 CA-C-O 121.455 0.645 . . . . 0.0 110.513 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -24.84 59.54 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.8 -5.04 49.46 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.935 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -96.12 -26.56 15.44 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.999 0.428 . . . . 0.0 109.904 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.5 mt -65.4 136.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.055 0.542 . . . . 0.0 112.318 -172.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-O 122.051 0.929 . . . . 0.0 108.751 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' GLU . 12.4 m120 . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 121.647 0.737 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.461 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 10.5 tpt180 -140.09 157.18 46.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.3 mt -118.97 136.52 54.05 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.5 156.11 27.24 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.528 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 49.1 mt -95.16 131.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 C-N-CA 123.455 0.702 . . . . 0.0 109.793 -177.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.38 104.74 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -89.33 -32.42 17.34 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.343 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.84 162.5 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.03 140.39 48.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -128.4 77.08 1.75 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.17 -100.78 0.6 Allowed Glycine 0 C--N 1.31 -0.911 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.861 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -105.65 15.77 26.4 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.097 0.475 . . . . 0.0 110.838 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.0 155.92 29.45 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.26 144.13 44.64 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.1 t -98.76 121.88 49.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 13.3 m -114.09 128.43 71.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.126 0.489 . . . . 0.0 110.987 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.4 tp -90.69 103.1 15.84 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.428 ' HB ' ' OE2' ' A' ' 21' ' ' GLU . 60.3 p -68.3 172.61 5.68 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.036 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -63.84 -21.04 66.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.646 0.736 . . . . 0.0 110.525 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' OE2' ' HB ' ' A' ' 19' ' ' THR . 1.7 mp0 -82.84 -8.57 59.57 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.351 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.18 28.89 47.72 Favored Glycine 0 N--CA 1.435 -1.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -112.23 146.16 38.65 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -96.58 112.63 24.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.701 0.762 . . . . 0.0 109.675 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.8 146.29 36.65 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.92 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.7 mm -103.56 121.61 55.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 pt -123.16 168.7 15.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -67.98 125.68 27.08 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.879 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -85.02 126.9 33.93 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.168 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 73.0 mtt85 -94.81 166.14 12.13 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.48 -22.49 66.75 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -91.95 3.91 54.16 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.547 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -76.28 107.48 8.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.581 0.229 . . . . 0.0 110.423 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 46.8 mtpt -113.59 145.81 40.68 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.47 136.22 26.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 C-N-CA 122.874 0.47 . . . . 0.0 111.177 -174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.01 -24.67 28.69 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.117 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 6.8 pt20 -94.18 154.93 17.32 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 122.681 -0.306 . . . . 0.0 111.767 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.7 tt0 -86.87 132.9 33.69 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.75 151.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 120.899 0.38 . . . . 0.0 110.164 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -99.84 115.68 30.16 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 37.7 p90 -128.97 173.9 10.0 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' ASN . 3.2 mm-40 -107.2 170.77 7.76 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 121.292 0.568 . . . . 0.0 110.953 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.39 -25.21 61.41 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.647 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.78 -12.96 60.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.428 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -93.62 -14.48 26.42 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 122.135 -0.353 . . . . 0.0 110.792 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.78 127.16 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 120.956 0.408 . . . . 0.0 110.159 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.295 -1.787 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.877 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 m120 . . . . . 0 CA--C 1.51 -0.574 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 5.9 tpt180 -130.87 159.06 38.48 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.72 129.25 54.42 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 123.374 0.421 . . . . 0.0 109.981 -177.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.29 156.83 26.92 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 120.003 -1.094 . . . . 0.0 112.266 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.7 mt -94.11 128.59 45.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mm -63.58 104.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -86.49 -36.11 19.21 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.72 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -162.98 160.19 24.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -118.81 138.99 47.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 C-N-CA 123.3 0.64 . . . . 0.0 109.487 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -125.0 76.81 1.56 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.66 -101.27 0.56 Allowed Glycine 0 C--O 1.248 0.98 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.699 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mmt -103.13 6.52 38.52 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.926 0.393 . . . . 0.0 111.21 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -109.51 158.34 18.09 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.7 145.6 44.91 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -97.87 120.78 47.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 3.1 m -112.01 129.54 67.29 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 177.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 tp -95.45 103.45 15.32 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.452 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 66.8 p -66.32 171.07 5.14 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.976 0.417 . . . . 0.0 112.038 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -64.85 -16.51 63.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.621 0.724 . . . . 0.0 109.963 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.78 -10.38 51.17 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.213 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.39 36.69 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.411 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -106.6 144.18 33.64 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -101.57 113.18 26.09 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -116.9 147.33 42.3 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.28 127.2 51.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 pt -129.24 168.38 22.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-O 120.893 0.378 . . . . 0.0 110.976 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' HD2' ' OD1' ' A' ' 45' ' ' ASP . 65.1 mtt180 -64.94 126.06 26.83 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -85.09 130.35 34.63 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 94.4 mtt180 -98.31 168.07 10.45 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.82 -12.46 61.64 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -98.44 3.15 48.32 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.294 0.569 . . . . 0.0 111.2 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.473 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -78.79 116.08 18.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mppt? -117.33 150.14 39.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.07 132.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 C-N-CA 122.667 0.387 . . . . 0.0 110.566 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.63 -21.02 35.56 Favored Glycine 0 C--N 1.314 -0.642 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.716 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.3 pt20 -93.25 146.5 23.65 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 120.269 -0.573 . . . . 0.0 111.876 -177.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.09 162.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 122.662 0.385 . . . . 0.0 109.985 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p -107.88 127.12 53.45 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 29.2 p90 -131.81 168.76 17.25 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -109.86 166.93 10.54 Favored 'General case' 0 C--N 1.288 -2.087 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.133 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.15 -30.16 69.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.733 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.13 -26.06 61.97 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.165 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 28' ' ' ARG . 39.3 m-20 -78.72 -15.87 57.93 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.9 mt -74.82 114.06 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-O 121.701 0.763 . . . . 0.0 111.499 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.307 -1.272 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.923 -178.539 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 CA--C 1.503 -0.852 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 1.2 tpt180 -121.47 148.05 44.96 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -112.67 131.47 55.63 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.59 156.12 26.89 Favored Glycine 0 N--CA 1.425 -2.054 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.768 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.3 mt -96.21 130.66 44.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -66.67 103.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -83.92 -39.37 19.89 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.264 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -162.12 163.85 28.33 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mm -119.62 138.01 51.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.82 73.88 1.04 Allowed 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.72 -101.49 0.41 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.443 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 mmt -98.61 7.49 46.06 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.439 0.638 . . . . 0.0 110.511 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -120.17 156.32 31.34 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.29 144.82 51.56 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.97 113.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.407 HG22 ' CZ ' ' A' ' 41' ' ' PHE . 7.6 m -107.87 131.22 58.75 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.083 0.468 . . . . 0.0 111.431 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -93.14 102.27 14.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.1 p -70.32 170.57 11.53 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.366 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -64.22 -14.92 58.62 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.487 0.661 . . . . 0.0 110.939 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.55 -13.02 55.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.282 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.56 25.53 38.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.654 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -111.18 148.5 32.63 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -102.28 112.72 25.52 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.69 154.8 25.56 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.903 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -103.39 118.46 50.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.42 166.29 17.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-O 120.659 0.266 . . . . 0.0 110.607 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 98.5 mtt180 -65.64 126.07 27.23 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -85.33 122.68 29.84 Favored 'General case' 0 N--CA 1.419 -1.998 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.614 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -94.34 164.72 12.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -71.94 -8.41 54.31 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.221 0.534 . . . . 0.0 111.789 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -79.62 -18.84 50.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.379 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.89 112.25 6.93 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.776 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -113.58 138.52 50.05 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.77 127.9 26.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.077 0.465 . . . . 0.0 111.459 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.08 -17.45 44.51 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 114.239 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -93.72 148.21 22.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.873 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 61.8 tt0 -82.83 120.18 25.32 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -111.33 153.91 13.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.586 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -106.56 115.4 30.14 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.6 p90 -128.84 171.48 12.23 Favored 'General case' 0 CA--C 1.47 -2.108 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -101.02 166.38 10.84 Favored 'General case' 0 C--N 1.273 -2.753 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.76 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.83 -14.15 61.89 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.759 0.79 . . . . 0.0 110.255 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -70.96 -30.61 66.93 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.719 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 3.4 m-20 -73.41 -22.56 60.2 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.673 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.4 mt -70.31 115.78 10.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 CA-C-O 121.875 0.845 . . . . 0.0 111.444 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 2.9 m-85 . . . . . 0 CA--C 1.502 -0.894 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.415 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.0 m120 . . . . . 0 N--CA 1.444 -0.735 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -118.28 159.29 23.63 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.48 132.46 55.22 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 117.863 0.301 . . . . 0.0 110.839 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.96 157.21 28.26 Favored Glycine 0 CA--C 1.483 -1.967 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.976 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 43.7 mt -98.04 131.55 44.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.427 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 46.8 mm -68.11 111.41 2.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.537 0.684 . . . . 0.0 109.798 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -86.28 -38.72 17.25 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 114.098 -1.41 . . . . 0.0 109.567 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -159.29 162.84 36.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.458 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.3 mm -126.9 132.91 69.53 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -135.85 85.64 2.17 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 -118.09 9.05 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.7 11.75 32.29 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 120.998 0.428 . . . . 0.0 110.882 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -116.27 159.42 21.89 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.48 152.82 47.3 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.193 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.03 121.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 2.8 m -109.83 130.58 62.73 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.38 102.37 14.17 Favored 'General case' 0 N--CA 1.414 -2.241 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 170.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.434 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.9 p -70.11 173.57 6.44 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.086 0.47 . . . . 0.0 112.109 -173.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -64.44 -16.07 61.75 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.514 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -86.1 -8.02 58.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.446 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.72 30.65 38.77 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.647 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -114.96 145.91 41.74 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 m-85 -101.24 113.53 26.67 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 mp -114.63 144.1 43.96 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.067 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -90.73 117.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.2 pt -125.47 170.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -83.36 131.67 35.04 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.418 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 32.4 ttt180 -73.69 134.99 43.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.641 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.18 175.26 5.79 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.55 -33.5 72.86 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -173.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 20.1 t70 -87.78 -10.02 52.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.595 0.712 . . . . 0.0 110.479 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.728 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 34.6 ttm -67.23 106.56 2.07 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.97 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 28.4 mttp -116.75 155.37 29.02 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.427 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 40.8 t -69.92 140.16 19.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.302 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.68 -25.33 27.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.24 -0.505 . . . . 0.0 114.124 174.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -94.04 154.26 17.73 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.043 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 26.8 tt0 -88.46 130.08 35.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG21 ' HE3' ' A' ' 33' ' ' MET . 18.8 m -120.36 153.73 23.45 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 -176.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 m -98.61 115.86 29.56 Favored 'General case' 0 N--CA 1.407 -2.603 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.2 p90 -123.82 168.3 12.92 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' HB3' ' CD ' ' A' ' 44' ' ' GLU . 1.8 mp0 -106.26 166.53 10.46 Favored 'General case' 0 C--N 1.273 -2.721 0 O-C-N 123.429 0.455 . . . . 0.0 110.673 -177.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.55 -23.12 46.31 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 1.7 mp0 -64.91 -19.55 65.98 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 113.662 -1.608 . . . . 0.0 110.366 173.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -96.06 -12.95 24.11 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.705 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.6 mt -79.14 117.38 24.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.599 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.311 -1.093 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.698 -178.727 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 CA--C 1.512 -0.507 0 CA-C-O 121.345 0.593 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 158.61 39.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.29 143.69 47.21 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.04 156.2 27.95 Favored Glycine 0 N--CA 1.426 -1.971 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.974 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 47.0 mt -95.82 129.93 45.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.417 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 34.1 mm -67.4 104.98 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.565 0.697 . . . . 0.0 109.444 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -87.63 -35.5 18.01 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.832 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -162.53 165.06 26.56 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -130.89 139.47 51.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 123.818 0.847 . . . . 0.0 109.181 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -136.96 82.87 1.96 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.31 -121.19 8.85 Favored Glycine 0 N--CA 1.424 -2.145 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 83.1 mtp -100.05 26.13 6.73 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.492 0.663 . . . . 0.0 110.32 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -118.76 148.03 43.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.8 146.56 50.88 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.327 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -99.64 113.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.5 128.91 60.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.615 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -92.01 102.18 14.74 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 104.718 -2.326 . . . . 0.0 104.718 171.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p -67.59 174.86 3.18 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -172.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -69.46 -6.68 31.97 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.189 0.995 . . . . 0.0 110.999 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -96.79 -6.83 35.21 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.187 176.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.94 59.66 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.533 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -111.01 145.05 39.15 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.845 0.323 . . . . 0.0 110.13 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -93.88 118.68 31.79 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mp -122.1 145.43 48.18 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.116 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 mm -93.78 120.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.16 166.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.62 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -64.87 128.55 36.25 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.82 118.35 28.46 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.38 -179.05 5.11 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -78.55 -10.98 59.93 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.467 0.651 . . . . 0.0 110.294 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.8 -9.16 59.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.57 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -89.66 106.66 18.61 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 121.223 0.535 . . . . 0.0 111.444 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -114.29 143.44 44.86 Favored 'General case' 0 N--CA 1.422 -1.872 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 3.1 t -68.21 133.98 30.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 CA-C-O 121.255 0.55 . . . . 0.0 111.342 -175.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.23 -25.2 28.58 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.577 -0.738 . . . . 0.0 114.107 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -93.92 158.99 15.38 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.692 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.9 tt0 -89.57 128.7 36.06 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.56 161.52 23.6 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -111.73 132.21 54.79 Favored 'General case' 0 N--CA 1.401 -2.906 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -132.62 173.39 11.39 Favored 'General case' 0 C--N 1.267 -3.0 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.6 166.79 10.53 Favored 'General case' 0 C--N 1.266 -3.028 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -72.41 -23.67 61.12 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 122.286 1.041 . . . . 0.0 109.137 -177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -67.34 -25.59 66.07 Favored 'General case' 0 N--CA 1.409 -2.515 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.429 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.69 -14.4 45.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.3 mt -74.57 128.96 36.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-O 121.33 0.586 . . . . 0.0 109.994 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.304 -1.392 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.306 177.655 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 7.4 m120 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 121.09 0.471 . . . . 0.0 111.619 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -130.06 157.77 41.48 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -116.5 122.66 45.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 117.78 0.264 . . . . 0.0 110.658 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.19 156.45 26.81 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.903 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.9 mt -95.59 130.38 44.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 29.8 mm -68.77 102.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-O 121.81 0.815 . . . . 0.0 109.498 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.0 -41.89 22.03 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 113.973 -1.467 . . . . 0.0 109.075 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -160.8 147.39 15.19 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 10' ' ' ILE . 26.9 mm -111.94 133.43 57.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -120.82 75.03 1.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.76 -100.84 0.95 Allowed Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.044 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.3 mtp -109.0 11.04 26.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.641 0.257 . . . . 0.0 111.299 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -112.21 155.99 23.08 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.4 41.48 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.637 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -100.12 113.67 36.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.1 m -107.17 127.56 62.81 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 121.125 0.488 . . . . 0.0 110.992 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -94.38 106.28 18.25 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 174.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.6 p -65.38 164.7 13.19 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.023 0.439 . . . . 0.0 112.138 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -60.9 -17.55 51.35 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.925 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -91.85 -20.04 21.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.168 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.28 34.07 3.5 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 119.888 -1.149 . . . . 0.0 113.941 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.15 147.29 35.23 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -103.93 116.73 32.8 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -116.92 143.75 45.34 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.7 mm -95.74 120.65 45.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.8 pt -124.31 170.89 13.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 34.7 mtm180 -74.6 128.43 35.53 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.56 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 9.7 ttt180 -78.71 125.68 29.7 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -85.36 163.15 18.72 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -72.65 -14.32 61.56 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -110.5 9.57 23.21 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 122.025 0.917 . . . . 0.0 109.985 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.56 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 36.5 ttm -78.93 118.05 20.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.97 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -113.89 151.64 31.92 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.045 0.538 . . . . 0.0 110.847 -176.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 7.4 t -75.72 142.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.251 0.62 . . . . 0.0 111.259 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.05 15.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.865 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -92.79 157.5 16.38 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.497 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -89.64 119.45 30.07 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -111.72 152.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.07 -175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 m -94.9 116.1 28.29 Favored 'General case' 0 N--CA 1.404 -2.737 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 172.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.5 p90 -120.44 172.99 7.43 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -108.67 166.17 11.0 Favored 'General case' 0 C--N 1.275 -2.634 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.185 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.88 -24.12 58.5 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.11 -18.71 64.01 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-N 113.823 -1.535 . . . . 0.0 111.064 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 29.7 m-20 -86.1 -17.07 36.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 122.086 -0.384 . . . . 0.0 110.739 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.9 mt -68.8 126.01 27.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.225 0.536 . . . . 0.0 110.986 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.562 0.696 . . . . 0.0 111.482 -177.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 2.8 m120 . . . . . 0 CA--C 1.505 -0.787 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.572 ' NH1' ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -113.33 156.1 23.98 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 172.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -117.41 131.99 56.66 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 -175.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.82 156.26 26.61 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.236 -0.983 . . . . 0.0 111.766 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.7 mt -95.51 131.09 43.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 mm -65.03 106.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -90.16 -33.93 16.04 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.655 -176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -163.98 166.27 21.73 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.29 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 mm -125.27 135.35 64.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 C-N-CA 123.295 0.638 . . . . 0.0 109.32 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.55 74.13 1.1 Allowed 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.13 -101.28 0.47 Allowed Glycine 0 C--O 1.244 0.755 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.309 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -98.1 4.07 49.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.338 0.589 . . . . 0.0 110.756 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -114.86 155.21 27.23 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.17 144.73 50.87 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.19 117.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m -109.86 130.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.209 0 CA-C-O 120.926 0.393 . . . . 0.0 110.784 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -94.22 104.08 16.1 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 172.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.411 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 42.9 p -67.62 171.91 5.77 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.667 -173.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -66.64 -14.53 62.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.616 0.722 . . . . 0.0 110.349 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -89.52 -10.02 47.77 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.859 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 26.2 43.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.157 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -111.71 140.98 45.88 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.26 148.68 32.35 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.301 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.8 mm -102.79 117.83 48.78 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.2 pt -124.82 167.05 19.42 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.182 0 CA-C-O 120.78 0.324 . . . . 0.0 111.175 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 62.1 mtm180 -64.8 124.68 22.61 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.519 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -86.01 130.37 34.56 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.426 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -103.48 163.3 12.37 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.13 -18.68 64.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' O ' ' HD3' ' A' ' 34' ' ' LYS . 15.9 t70 -80.45 -15.72 56.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.711 0.291 . . . . 0.0 111.365 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.55 107.89 2.66 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 3.1 mppt? -113.41 149.1 34.63 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.12 134.57 29.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.89 -22.86 29.06 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.953 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -93.21 152.42 19.22 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.551 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 32.2 tt0 -89.23 124.52 34.45 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.31 148.6 18.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 120.967 0.413 . . . . 0.0 111.226 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -94.37 118.28 31.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 35.9 p90 -125.78 166.22 17.22 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.4 170.35 7.94 Favored 'General case' 0 C--N 1.272 -2.776 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.01 -27.53 66.63 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.31 -23.78 67.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.918 176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 15.3 m-20 -79.65 -22.54 43.43 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.281 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.48 115.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 CA-C-O 121.512 0.672 . . . . 0.0 111.224 -175.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.461 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 . . . . . 0 C--N 1.309 -1.192 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.937 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 CA--C 1.504 -0.789 0 CA-C-O 120.77 0.319 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -120.53 153.56 36.54 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -113.94 134.85 54.56 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.01 155.98 26.6 Favored Glycine 0 N--CA 1.428 -1.862 0 C-N-CA 120.325 -0.941 . . . . 0.0 111.31 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 52.3 mt -95.1 130.89 43.26 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.22 104.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -84.73 -37.34 21.01 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.542 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -164.01 164.74 22.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mm -120.63 139.12 48.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 C-N-CA 122.85 0.46 . . . . 0.0 109.934 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.41 74.56 1.06 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 -102.99 0.81 Allowed Glycine 0 C--N 1.312 -0.75 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.4 mtp -106.32 18.24 22.28 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.599 0.714 . . . . 0.0 110.529 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -118.74 158.42 25.59 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.17 144.65 45.11 Favored 'General case' 0 C--N 1.288 -2.095 0 CA-C-O 120.563 0.22 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.36 114.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -108.43 125.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 55.5 tp -89.54 102.28 14.96 Favored 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 p -66.53 167.86 10.13 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.664 -174.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -68.86 -5.03 18.62 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.48 0.657 . . . . 0.0 110.318 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.52 -11.22 30.0 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.41 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.89 27.64 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.291 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 30.7 mt-10 -115.81 154.57 29.42 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.49 113.07 26.43 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.28 144.42 43.76 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.791 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -93.89 122.24 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.6 pt -126.4 171.43 15.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 132.85 48.02 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 174.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -86.27 122.15 29.86 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 119.244 -0.982 . . . . 0.0 108.957 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.674 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 72.2 mtt180 -88.95 172.79 8.88 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -73.32 -9.28 58.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -168.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -115.89 8.4 14.72 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.605 0.717 . . . . 0.0 112.0 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.674 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -70.64 108.71 4.51 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.378 -179.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -113.82 144.14 43.5 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 108.561 -0.904 . . . . 0.0 108.561 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.8 123.71 21.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-O 121.027 0.441 . . . . 0.0 111.378 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.21 -23.62 10.47 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.248 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -93.31 156.97 16.48 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.784 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 52.4 tt0 -91.47 118.77 30.85 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.51 149.34 13.45 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.176 0.512 . . . . 0.0 111.264 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 p -96.46 116.25 28.75 Favored 'General case' 0 N--CA 1.415 -2.198 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.507 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -125.04 170.68 10.92 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -103.12 163.86 11.97 Favored 'General case' 0 C--N 1.273 -2.745 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.37 -14.78 61.81 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.287 0.565 . . . . 0.0 110.159 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.65 -29.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.092 174.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.39 -13.67 59.88 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.414 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.4 mt -68.11 118.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 121.4 0.619 . . . . 0.0 110.574 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.303 -177.153 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.552 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.7 tpt180 -143.39 155.69 44.48 Favored 'General case' 0 C--N 1.29 -2.011 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -111.18 130.31 55.68 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.497 0.498 . . . . 0.0 110.338 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.61 155.76 26.42 Favored Glycine 0 N--CA 1.428 -1.844 0 C-N-CA 119.966 -1.112 . . . . 0.0 111.806 177.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 40.2 mt -95.11 128.15 46.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.7 101.03 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -85.76 -34.93 21.05 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.837 -176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.69 159.82 30.74 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -121.43 134.27 65.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.32 73.5 1.05 Allowed 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.04 -100.66 0.35 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.731 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 mmt -95.74 1.69 53.51 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.34 0.656 . . . . 0.0 110.609 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -112.07 157.13 21.15 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.94 140.68 44.19 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.7 119.54 43.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 6.4 m -109.68 129.24 64.9 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-O 121.234 0.54 . . . . 0.0 110.946 178.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -93.82 102.82 14.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.422 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 40.5 p -68.22 168.99 11.2 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.4 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -68.86 -8.88 47.94 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.466 0.651 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 3' ' ' ARG . 25.9 mt-10 -88.2 -15.52 35.76 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.969 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.74 22.18 31.75 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.532 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -110.03 145.65 36.67 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -98.71 116.15 30.3 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.27 148.08 41.98 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 mm -98.37 124.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.9 pt -125.86 169.13 17.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -69.75 128.16 35.47 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -87.64 124.85 33.97 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.426 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 81.2 mtt180 -92.69 169.75 10.25 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -77.07 -7.2 55.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.654 0.74 . . . . 0.0 110.631 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.88 -6.95 53.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.472 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.426 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -73.98 121.14 20.55 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.388 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.1 mttm -120.22 139.92 51.95 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 175.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -69.21 133.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.22 -23.71 32.49 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.39 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.2 pt20 -93.21 148.69 21.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 118.095 0.947 . . . . 0.0 112.367 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.1 tt0 -83.22 121.51 27.19 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -116.23 161.57 14.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.255 -175.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 120.4 41.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 28.9 p90 -122.17 173.91 7.29 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -107.65 168.82 8.99 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-O 120.996 0.426 . . . . 0.0 110.049 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.2 -24.18 59.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.557 0.694 . . . . 0.0 110.709 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.31 -10.9 59.87 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.484 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -90.36 -21.44 21.98 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.9 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.64 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.318 -0.788 0 CA-C-O 122.022 0.915 . . . . 0.0 110.645 -178.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.8 m120 . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 121.157 0.503 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 12.3 tpt180 -146.84 151.02 36.41 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 174.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.91 125.71 53.95 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 123.142 0.276 . . . . 0.0 110.657 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.96 156.18 26.56 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 119.63 -1.271 . . . . 0.0 111.805 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.2 mt -95.16 130.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.9 mm -67.98 104.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.34 -35.55 27.76 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.536 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -164.39 158.77 18.93 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.0 mm -114.33 143.58 23.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.58 76.49 1.71 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.76 -109.67 3.01 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.4 mtp -106.07 16.4 25.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.704 0.764 . . . . 0.0 110.083 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -111.54 159.34 18.21 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.58 143.22 47.24 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -99.39 113.08 33.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 3.5 m -104.54 134.51 45.69 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.037 0 CA-C-O 121.065 0.46 . . . . 0.0 111.034 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.03 102.6 14.4 Favored 'General case' 0 N--CA 1.407 -2.59 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.5 p -69.86 167.42 17.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.656 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -58.62 -24.68 61.56 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.259 0.552 . . . . 0.0 111.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.95 -19.82 60.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.89 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.09 24.17 15.53 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -106.16 144.79 32.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 42.5 m-85 -101.98 113.31 26.43 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mp -112.6 146.28 38.87 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.451 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.89 120.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 pt -125.92 163.99 26.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.5 131.47 46.11 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -89.51 125.62 35.26 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 88.8 mtt180 -99.9 175.25 5.84 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 174.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -67.24 -22.96 65.66 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.91 7.51 36.92 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.1 mpt? -88.95 114.17 25.28 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.4 t -65.26 131.49 31.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-O 120.867 0.365 . . . . 0.0 111.048 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.67 -27.19 18.79 Favored Glycine 0 N--CA 1.432 -1.618 0 C-N-CA 121.226 -0.512 . . . . 0.0 113.828 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -93.7 158.04 15.87 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.429 0.615 . . . . 0.0 112.003 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 60.3 tt0 -93.77 121.66 35.45 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.5 m -115.39 156.34 16.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.987 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.007 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -102.44 116.11 31.95 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 26.5 p90 -120.26 173.84 6.88 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -109.2 167.97 9.72 Favored 'General case' 0 C--N 1.274 -2.697 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.512 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.04 -22.06 64.98 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.748 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -75.69 -15.36 60.31 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.58 177.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -89.49 -19.45 25.06 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.8 mt -76.09 121.1 27.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-O 121.071 0.462 . . . . 0.0 111.399 -174.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.32 -0.694 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 22.3 m120 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 121.257 0.551 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -117.42 152.42 35.02 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.18 130.74 57.0 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.2 155.97 26.53 Favored Glycine 0 CA--C 1.481 -2.091 0 C-N-CA 119.88 -1.152 . . . . 0.0 111.83 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 56.3 mt -94.67 127.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mm -65.32 106.56 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -83.17 -40.3 19.9 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.118 -1.401 . . . . 0.0 109.55 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -165.61 160.33 17.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.02 139.51 39.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 74.72 1.34 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.05 -104.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.4 mmt -103.75 8.73 37.26 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.149 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 50.7 mtmt -110.27 159.06 17.74 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.46 141.43 45.36 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -96.22 114.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -106.91 131.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.828 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.51 102.27 14.03 Favored 'General case' 0 N--CA 1.409 -2.498 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 p -65.91 168.12 8.57 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.476 -174.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 p -65.23 -13.95 59.53 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.532 0.682 . . . . 0.0 110.923 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -86.26 -9.07 57.19 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.185 0.994 . . . . 0.0 110.782 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.26 23.65 43.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.835 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -111.87 144.66 40.83 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -97.63 113.04 24.69 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.93 146.38 35.28 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -98.15 120.44 47.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.3 pt -124.83 171.1 14.12 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-O 120.806 0.336 . . . . 0.0 110.462 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -76.48 132.85 39.83 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -89.87 126.17 35.61 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -73.97 -11.25 60.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 110.371 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.68 -12.8 59.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.948 0.899 . . . . 0.0 110.958 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -95.49 113.02 24.63 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 120.986 0.422 . . . . 0.0 112.022 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 62.5 mtpt -132.66 144.64 50.47 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.41 128.73 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.998 -173.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 -28.79 9.5 Favored Glycine 0 N--CA 1.435 -1.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.979 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.9 pt20 -93.45 156.79 16.55 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.866 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.6 tt0 -88.82 126.57 35.42 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -114.84 162.4 12.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.79 122.37 47.47 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 27.4 p90 -136.35 169.18 18.09 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.88 175.94 5.32 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -28.22 63.84 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.855 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -70.57 -18.01 62.91 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.223 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.73 -20.51 39.21 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -74.03 129.36 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.735 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.296 -1.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.941 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.493 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 12.3 m120 . . . . . 0 CA--C 1.496 -1.099 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -115.52 154.37 29.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.5 mt -109.97 133.6 53.01 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.27 156.11 26.63 Favored Glycine 0 CA--C 1.483 -1.929 0 C-N-CA 120.212 -0.994 . . . . 0.0 111.983 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.3 mt -97.24 128.82 48.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.32 105.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -89.03 -35.22 16.49 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.488 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -164.51 168.04 18.76 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -174.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.422 HG22 ' NH1' ' A' ' 29' ' ' ARG . 26.2 mm -124.56 141.25 45.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -129.93 74.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 123.171 0.588 . . . . 0.0 109.795 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.55 -111.26 3.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 mmt -98.13 10.76 39.72 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.644 0.735 . . . . 0.0 110.567 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 91.5 mttt -114.82 159.08 21.04 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.25 149.51 50.96 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.5 115.4 44.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -108.93 128.52 64.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.086 0.47 . . . . 0.0 111.424 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 tp -91.24 102.08 14.8 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.43 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 20.7 p -66.37 166.7 11.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.28 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -69.59 -5.41 24.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.827 0.822 . . . . 0.0 110.195 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.82 -1.48 40.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.3 20.47 62.41 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.29 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -115.59 145.57 42.55 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 117.891 0.846 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -92.99 113.03 25.2 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.12 141.17 44.97 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-O 120.864 0.364 . . . . 0.0 110.245 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -92.75 117.39 36.03 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.89 170.06 16.44 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.934 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -65.89 128.84 37.61 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.624 0.577 . . . . 0.0 109.678 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' NH1' HG22 ' A' ' 10' ' ' ILE . 12.1 ttt180 -84.05 125.53 32.19 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.561 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 3.0 mpt_? -91.96 165.11 13.38 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.9 -31.34 72.38 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -85.88 0.21 53.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.35 107.6 1.39 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.958 0.408 . . . . 0.0 111.785 -179.23 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' ' OE1' ' A' ' 37' ' ' GLN . 35.4 mtmm -113.42 141.66 46.82 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 t -72.89 130.23 35.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 123.368 0.418 . . . . 0.0 110.648 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.88 -23.69 12.79 Favored Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 116.145 -0.479 . . . . 0.0 113.67 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 13.7 pt20 -94.11 153.31 18.19 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 122.313 -0.521 . . . . 0.0 112.297 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.0 tt0 -88.7 126.39 35.29 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 174.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.62 162.54 16.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.918 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -109.66 125.48 52.66 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.6 p90 -132.03 164.67 25.69 Favored 'General case' 0 CA--C 1.483 -1.61 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -103.16 169.29 8.64 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 123.773 0.671 . . . . 0.0 109.863 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.28 -20.89 60.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 120.897 0.379 . . . . 0.0 111.555 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.94 -35.26 80.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.937 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' CG ' HH21 ' A' ' 30' ' ' ARG . 3.6 m-20 -82.46 -7.9 59.63 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.199 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.1 mt -75.78 119.57 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-O 121.507 0.67 . . . . 0.0 110.037 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 9.3 m-85 . . . . . 0 C--N 1.304 -1.384 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.823 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.0 m120 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 121.019 0.437 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 6.1 tpt180 -119.1 156.27 30.05 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.5 mt -107.96 132.54 53.4 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.79 155.35 26.22 Favored Glycine 0 CA--C 1.477 -2.307 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.789 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 16.0 mt -100.3 130.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.252 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.38 105.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 121.445 0.64 . . . . 0.0 109.557 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -86.3 -37.44 18.54 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.244 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -162.29 158.02 23.65 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.609 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mm -112.87 137.09 47.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 75.06 1.3 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.31 -110.75 3.44 Favored Glycine 0 C--O 1.245 0.81 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.4 mtp -104.26 17.85 23.29 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.437 0.637 . . . . 0.0 110.372 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 57.3 mttp -118.29 162.37 18.38 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.29 146.89 45.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 120.651 0.262 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.72 115.65 39.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -109.73 130.31 63.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 CA-C-O 121.058 0.456 . . . . 0.0 111.762 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 56.3 tp -90.16 102.24 14.96 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 170.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.0 p -74.49 174.45 8.93 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.8 -172.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -65.46 -11.71 45.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.063 0.945 . . . . 0.0 110.125 174.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.86 -10.52 45.01 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.752 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.97 14.77 80.26 Favored Glycine 0 C--O 1.24 0.513 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -104.85 141.71 36.03 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 43.7 m-85 -95.56 113.4 25.04 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mp -109.63 150.6 28.0 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.091 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mm -100.93 113.76 37.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 pt -123.2 170.55 13.33 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.229 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.35 134.12 50.9 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -85.05 129.36 34.81 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.5 mtt180 -101.98 -176.13 3.04 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -74.49 -33.33 62.8 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.899 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -82.4 11.0 6.01 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.725 0.774 . . . . 0.0 112.095 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.466 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -76.52 107.43 8.8 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.437 -0.789 . . . . 0.0 110.273 178.461 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HE3' ' NE2' ' A' ' 37' ' ' GLN . 30.4 mtmt -125.7 131.86 52.5 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 t -61.93 120.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 120.916 0.389 . . . . 0.0 110.968 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 -28.09 8.19 Favored Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.716 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -94.42 160.4 14.68 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 51.8 tt0 -95.73 125.92 40.64 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.714 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.18 152.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.475 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m -98.9 115.86 29.82 Favored 'General case' 0 N--CA 1.413 -2.284 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 50.9 p90 -121.1 172.65 7.81 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.45 175.72 5.32 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 121.176 0.512 . . . . 0.0 111.384 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -21.82 60.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.783 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.64 -28.67 62.88 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.914 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -12.62 59.09 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.341 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.6 mt -75.46 122.8 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 CA-C-O 121.267 0.555 . . . . 0.0 110.127 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.5 m-85 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.488 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.592 ' ND2' ' HG3' ' A' ' 42' ' ' GLU . 7.2 m120 . . . . . 0 N--CA 1.433 -1.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -139.35 156.48 46.98 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.601 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -122.97 132.05 53.98 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.04 155.65 26.32 Favored Glycine 0 CA--C 1.477 -2.306 0 C-N-CA 119.74 -1.219 . . . . 0.0 111.903 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 59.9 mt -95.1 129.91 44.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.2 mm -66.74 108.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -88.37 -34.25 17.66 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.507 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -164.58 153.8 13.3 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -118.15 144.98 24.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.53 74.65 1.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 175.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.5 -103.18 0.98 Allowed Glycine 0 N--CA 1.439 -1.127 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 mtp -105.78 16.18 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.252 0.549 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -114.32 153.41 29.82 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.99 140.64 42.3 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.5 t -96.34 113.15 29.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -105.49 128.54 59.44 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.465 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.0 tp -94.11 101.93 13.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 170.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.435 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 33.0 p -63.56 168.29 4.84 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.131 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -66.69 -14.41 62.47 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.502 0.668 . . . . 0.0 110.37 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.42 -1.27 57.63 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.467 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 29.34 51.79 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.974 -0.557 . . . . 0.0 114.052 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -116.01 148.4 40.19 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 117.525 0.662 . . . . 0.0 110.31 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.453 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 54.1 m-85 -98.04 118.19 34.09 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -120.83 148.54 43.88 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.661 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.05 116.04 36.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -120.31 164.09 17.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-O 120.954 0.407 . . . . 0.0 110.41 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -73.31 120.68 19.25 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 30.4 ttt180 -73.66 131.31 41.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.989 -177.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.56 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 96.5 mtt180 -96.69 178.09 5.44 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 174.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.22 -43.83 97.0 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.06 20.34 1.24 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.56 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -82.98 105.92 14.38 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.256 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -119.28 136.52 54.19 Favored 'General case' 0 N--CA 1.425 -1.72 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.69 124.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 123.255 0.347 . . . . 0.0 110.693 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.83 -29.36 7.21 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.417 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -93.98 155.25 17.24 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.036 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.7 tt0 -87.96 125.6 34.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.2 151.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.945 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.85 127.12 50.16 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 30.8 p90 -140.85 -179.87 6.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.592 ' HG3' ' ND2' ' A' ' 2' ' ' ASN . 2.2 mp0 -114.73 167.54 10.67 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -64.37 -18.66 64.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.524 0.678 . . . . 0.0 110.73 175.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.2 -17.94 58.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.099 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.47 -24.03 34.42 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.1 mt -67.39 139.88 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.715 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.189 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.515 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 27.2 m120 . . . . . 0 N--CA 1.443 -0.799 0 CA-C-O 121.639 0.733 . . . . 0.0 111.888 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.401 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.8 tpt180 -130.83 156.77 44.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 175.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.69 137.04 47.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.933 0.397 . . . . 0.0 111.166 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.26 155.92 26.91 Favored Glycine 0 N--CA 1.42 -2.394 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.4 mt -99.38 127.67 51.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.76 110.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -91.91 -32.8 15.15 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.274 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -162.7 141.04 8.53 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -110.24 131.64 60.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -135.51 89.74 2.54 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.53 -106.87 1.87 Allowed Glycine 0 N--CA 1.433 -1.555 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.284 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mmt -108.58 12.01 26.28 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.224 0.535 . . . . 0.0 109.922 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 94.2 mttt -114.25 155.46 26.12 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 140.59 45.28 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.202 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.39 119.83 45.95 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.75 129.49 63.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-O 120.98 0.419 . . . . 0.0 110.896 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.5 tp -92.79 102.1 14.49 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 171.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.429 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 44.3 p -71.42 175.17 5.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.565 -172.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -67.82 -8.37 35.53 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.362 0.665 . . . . 0.0 111.188 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -98.17 -0.62 43.91 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.688 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.24 20.35 77.35 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.532 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -101.36 147.18 26.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.06 112.78 24.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.46 147.66 33.61 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.38 120.82 47.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 46' ' ' ILE . 42.1 pt -126.84 164.36 27.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -69.62 132.36 46.08 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.154 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.763 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 57.2 ttt180 -78.11 137.76 38.38 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.618 0.723 . . . . 0.0 110.234 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -110.55 173.67 6.22 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -65.81 -41.48 91.84 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.14 0.495 . . . . 0.0 112.152 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -90.55 17.43 7.47 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.063 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.763 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 43.9 ttm -98.65 106.88 19.2 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 2.1 mtpm? -125.62 155.29 40.99 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.16 130.99 35.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 120.581 0.229 . . . . 0.0 110.88 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.15 -27.83 9.8 Favored Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.265 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.482 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 13.0 pt20 -93.69 147.08 23.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 44.0 tt0 -86.52 117.08 25.07 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.98 154.83 15.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -95.95 116.14 28.49 Favored 'General case' 0 N--CA 1.417 -2.09 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.9 p90 -120.03 164.34 16.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.32 166.57 11.65 Favored 'General case' 0 C--N 1.261 -3.251 0 CA-C-O 121.284 0.564 . . . . 0.0 110.222 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.39 -20.57 65.56 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.987 0.898 . . . . 0.0 108.836 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.39 -12.39 60.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.85 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.15 -18.6 23.28 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 27' ' ' ILE . 18.5 mt -72.84 123.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 -173.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.413 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 2.2 m-85 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.841 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 19.7 m120 . . . . . 0 C--O 1.236 0.378 0 CA-C-O 121.291 0.567 . . . . 0.0 112.036 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.455 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.1 tpt180 -122.05 156.41 33.6 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -112.47 130.98 55.8 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -153.18 156.33 26.67 Favored Glycine 0 CA--C 1.478 -2.244 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.985 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 39.6 mt -100.67 130.98 49.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.413 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 32.6 mm -65.27 107.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-O 121.496 0.665 . . . . 0.0 109.935 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -85.6 -40.22 16.48 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.723 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -162.78 161.09 26.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.416 HG23 ' NH1' ' A' ' 29' ' ' ARG . 28.2 mm -120.29 144.1 30.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.14 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.33 74.43 1.55 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.25 -101.31 0.42 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.063 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 mmt -98.9 4.79 47.49 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.184 0.516 . . . . 0.0 111.197 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -113.79 155.67 25.24 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.8 44.68 Favored 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.77 112.8 33.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 m -108.67 123.82 64.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 CA-C-O 121.21 0.529 . . . . 0.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -89.93 102.82 15.53 Favored 'General case' 0 N--CA 1.419 -2.009 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.462 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.2 p -64.71 162.45 15.86 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.493 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -66.39 -10.33 42.47 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.837 0.827 . . . . 0.0 110.743 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' CD ' HH21 ' A' ' 3' ' ' ARG . 36.4 mt-10 -100.72 0.42 38.9 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.928 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.69 18.22 55.12 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -107.32 140.9 39.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 117.298 0.549 . . . . 0.0 110.309 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -96.2 113.41 25.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -111.28 148.81 32.1 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -103.93 115.25 45.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.9 pt -124.07 170.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-O 120.842 0.353 . . . . 0.0 111.222 -176.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 77.3 mtt180 -69.6 128.94 38.26 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 172.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' NH1' HG23 ' A' ' 10' ' ' ILE . 7.9 ttt180 -83.28 120.34 25.72 Favored 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.748 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.525 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.7 mtt180 -91.19 173.83 7.72 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -73.52 -8.54 56.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.917 0.389 . . . . 0.0 111.769 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -79.01 -43.67 23.84 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.292 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.525 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.4 mpt? -50.52 112.78 0.75 Allowed 'General case' 0 C--O 1.244 0.794 0 C-N-CA 125.622 1.569 . . . . 0.0 114.541 -173.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -119.47 140.83 49.82 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 174.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 17.2 t -64.6 122.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.76 0.314 . . . . 0.0 111.159 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.9 -22.91 22.71 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.783 178.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -93.25 154.2 18.15 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.384 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.3 tt0 -85.26 128.95 34.88 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.37 156.93 23.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 t -104.44 116.25 31.78 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 43.5 p90 -121.1 178.51 4.72 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -116.27 169.91 8.93 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-O 121.219 0.533 . . . . 0.0 111.737 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -78.07 -22.84 48.45 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.459 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -82.65 -3.26 55.99 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.693 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 m-20 -102.29 -10.29 19.64 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.12 125.92 35.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.625 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.439 -0.99 0 CA-C-O 120.87 0.366 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.68 95.37 7.19 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.3 m120 -76.84 130.77 38.08 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 121.912 0.863 . . . . 0.0 113.014 -173.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.64 152.43 45.19 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -115.91 129.71 56.52 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.12 156.06 26.58 Favored Glycine 0 CA--C 1.479 -2.188 0 C-N-CA 119.643 -1.265 . . . . 0.0 112.187 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.8 mt -95.04 128.34 46.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.6 mm -66.57 102.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -86.33 -35.41 19.88 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.047 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -162.32 163.21 28.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -125.77 136.42 60.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.88 73.92 1.24 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 -103.11 0.52 Allowed Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.0 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 mmt -95.35 8.21 43.86 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.066 0.46 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -114.58 155.29 26.79 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 141.86 45.15 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -96.96 117.21 41.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.91 128.26 64.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 CA-C-O 121.02 0.438 . . . . 0.0 111.04 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -94.95 102.39 14.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.456 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 35.3 p -70.88 174.62 5.9 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -172.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -66.98 -15.96 64.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.526 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -87.57 -12.32 46.07 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.366 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.6 28.77 37.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.211 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.76 146.59 34.71 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -100.43 113.83 26.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.05 151.03 34.98 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.55 118.65 48.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 pt -122.68 166.07 17.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.59 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 81.5 mtt180 -64.37 134.82 55.36 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -89.39 123.02 33.16 Favored 'General case' 0 C--N 1.284 -2.25 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.763 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.6 mtt180 -98.64 175.33 6.03 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 174.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -71.26 -13.17 61.81 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.17 0.509 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.73 -16.72 59.42 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.897 0.879 . . . . 0.0 110.851 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.2 mpt? -80.57 107.0 13.01 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -173.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -114.3 136.44 52.97 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.03 125.64 23.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 O-C-N 123.134 0.271 . . . . 0.0 110.274 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.72 -28.41 8.54 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.685 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -93.69 151.98 19.28 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 117.778 0.789 . . . . 0.0 112.974 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 64.5 tt0 -86.99 116.3 24.95 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.109 -0.951 . . . . 0.0 108.515 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -110.99 152.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -98.07 116.19 29.79 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 29.1 p90 -123.23 177.26 5.65 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.01 167.26 10.12 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -23.84 52.76 Favored 'General case' 0 CA--C 1.491 -1.326 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.67 -22.53 66.53 Favored 'General case' 0 N--CA 1.416 -2.144 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.92 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 5.8 m-20 -86.63 -12.5 48.34 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 HG21 ' H ' ' A' ' 49' ' ' VAL . 45.4 mt -79.44 128.01 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-O 121.675 0.75 . . . . 0.0 110.485 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.16 -25.79 39.64 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.757 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -70.23 -60.42 2.29 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.779 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.406 ' H ' HG21 ' A' ' 46' ' ' ILE . 14.2 t -94.62 75.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-O 121.742 0.782 . . . . 0.0 108.956 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttm105 -88.88 -44.76 10.23 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.458 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.27 -0.97 16.61 Favored Glycine 0 C--N 1.305 -1.186 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 -172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 tptp . . . . . 0 N--CA 1.435 -1.177 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 179.146 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 111.293 0.109 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptm -90.88 105.68 17.99 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 121.399 0.618 . . . . 0.0 110.857 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -90.56 130.69 36.57 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.84 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -112.53 152.35 28.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -114.91 125.75 54.01 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.676 0.274 . . . . 0.0 110.267 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.91 156.46 26.76 Favored Glycine 0 CA--C 1.479 -2.167 0 C-N-CA 120.181 -1.009 . . . . 0.0 111.332 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.9 mt -99.76 130.12 49.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.96 103.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -86.19 -37.88 18.24 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.089 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -159.94 164.74 33.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 mm -120.05 139.96 45.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -127.91 74.59 1.55 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.65 -103.79 0.82 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.506 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 mmt -102.09 11.8 37.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.226 0.536 . . . . 0.0 110.765 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -117.89 159.77 22.54 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.13 142.38 50.23 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -97.74 113.23 31.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.2 128.04 63.97 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 tp -92.23 103.62 16.07 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.1 p -66.29 164.84 15.12 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.236 -175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -66.86 -4.59 9.69 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.431 0.634 . . . . 0.0 111.704 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.71 -10.46 40.08 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.861 0.864 . . . . 0.0 109.743 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 28.03 27.72 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.627 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -115.64 144.87 43.29 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -96.44 113.27 24.84 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -113.5 153.9 27.94 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.648 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -107.75 117.89 54.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.24 165.91 18.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.38 125.22 23.45 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.96 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -81.15 129.54 34.62 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.314 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -105.45 178.91 4.42 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -74.9 -18.59 60.39 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.6 t70 -87.8 -9.31 54.27 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.095 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.62 106.97 0.73 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.753 1.019 . . . . 0.0 113.753 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 42.6 mttp -115.23 136.68 52.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.05 122.81 20.0 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 120.622 0.249 . . . . 0.0 110.732 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.85 -22.51 11.56 Favored Glycine 0 N--CA 1.434 -1.469 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.977 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.7 pt20 -92.85 151.36 20.03 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.004 -0.679 . . . . 0.0 111.53 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 47.4 tt0 -89.29 126.85 35.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 175.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 m -117.5 146.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.21 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 m -91.02 115.71 28.22 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -124.2 167.2 14.6 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -102.68 158.54 16.17 Favored 'General case' 0 C--N 1.257 -3.434 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.626 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.408 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 10.9 m-80 -72.76 -15.54 61.66 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 122.501 1.143 . . . . 0.0 109.139 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.45 -20.55 59.98 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.107 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.36 -6.77 43.48 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 43' ' ' ASN . 89.5 mt -70.14 122.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.02 0.438 . . . . 0.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.82 -14.73 57.8 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.841 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -76.34 77.02 3.1 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 t -77.04 95.05 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-O 121.061 0.458 . . . . 0.0 109.915 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -166.41 -27.33 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.817 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.53 -77.16 0.56 Allowed Glycine 0 CA--C 1.49 -1.51 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 tttm . . . . . 0 C--N 1.293 -1.877 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.579 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 120.893 0.377 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp -86.4 98.35 10.96 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.7 m120 -79.43 143.75 34.71 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 121.673 0.749 . . . . 0.0 112.187 -177.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -131.71 156.54 45.73 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -116.47 130.49 56.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.88 155.98 26.59 Favored Glycine 0 CA--C 1.479 -2.189 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.667 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -95.67 131.76 41.61 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 mm -65.43 101.63 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -83.49 -36.87 23.78 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.551 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -162.11 164.25 28.12 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.158 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -123.76 137.34 57.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.5 77.01 1.67 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.1 -104.93 1.05 Allowed Glycine 0 C--N 1.314 -0.669 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.96 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.1 mmt -99.1 5.08 47.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.201 0.524 . . . . 0.0 110.469 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 86.8 mttt -110.22 156.67 20.35 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.38 44.46 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.33 115.22 41.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 m -106.35 129.52 59.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.318 0.58 . . . . 0.0 110.96 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.4 tp -95.38 104.78 16.69 Favored 'General case' 0 N--CA 1.41 -2.454 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.442 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 23.1 p -65.46 161.42 20.02 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -177.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -63.03 -14.8 52.55 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 123.611 0.764 . . . . 0.0 111.436 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -97.63 5.1 49.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.177 0.991 . . . . 0.0 110.516 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.13 32.86 47.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.23 -0.509 . . . . 0.0 114.078 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -115.92 133.47 55.99 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -92.24 121.05 33.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.84 145.59 44.47 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.58 113.53 35.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 pt -120.0 170.01 10.31 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 CA-C-O 120.989 0.423 . . . . 0.0 110.788 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -68.15 128.61 37.17 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.437 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -82.54 121.17 26.44 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.4 mtt180 -88.93 174.31 8.0 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -78.22 -19.69 53.3 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.16 10.89 27.51 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.475 0.655 . . . . 0.0 111.065 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.407 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -70.21 107.4 3.69 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.438 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 4.2 mppt? -116.34 137.68 51.95 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.78 129.17 31.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 123.275 0.36 . . . . 0.0 110.232 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.0 -15.18 44.28 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.91 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 10.9 pt20 -93.85 147.33 23.17 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.959 -0.696 . . . . 0.0 111.798 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -88.1 118.03 27.39 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.26 153.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -104.68 116.15 31.54 Favored 'General case' 0 N--CA 1.412 -2.365 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 27.0 p90 -121.11 169.69 10.28 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.31 171.06 7.52 Favored 'General case' 0 C--N 1.272 -2.79 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.409 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.38 -14.03 62.39 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.915 0.864 . . . . 0.0 109.16 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -77.89 -13.34 59.92 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.848 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -9.24 36.75 Favored 'General case' 0 CA--C 1.495 -1.167 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.5 mt -78.17 126.61 38.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.886 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -68.9 -29.95 68.34 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.211 -176.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -116.64 110.51 18.6 Favored 'General case' 0 CA--C 1.482 -1.663 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 t -77.01 83.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.123 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -67.08 -22.15 65.84 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.281 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.98 -33.08 6.73 Favored Glycine 0 CA--C 1.501 -0.828 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.42 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 N--CA 1.427 -1.582 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -179.071 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 12.4 tpt -171.2 83.67 0.08 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.365 1.066 . . . . 0.0 109.201 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.3 m120 -69.78 129.69 40.27 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.459 175.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -115.96 159.07 22.1 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.28 137.12 48.44 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.72 155.47 26.3 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.216 176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.503 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 27.3 mt -97.9 125.35 51.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.0 mm -63.53 105.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.08 -36.54 15.7 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.038 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -163.86 163.36 23.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -122.32 135.08 63.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 74.79 1.44 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.69 -101.08 0.81 Allowed Glycine 0 C--O 1.242 0.613 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.3 mmt -102.63 5.93 39.4 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.194 0.521 . . . . 0.0 109.806 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -112.83 156.02 23.63 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.25 142.14 45.9 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.02 122.61 48.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.04 128.72 73.24 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.072 0.463 . . . . 0.0 111.694 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.5 tp -88.52 102.16 14.65 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.7 p -72.13 174.55 7.0 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -65.33 -18.77 65.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.449 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -84.91 -10.14 57.4 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.665 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.24 15.68 78.03 Favored Glycine 0 C--O 1.22 -0.774 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.546 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -103.62 138.73 39.88 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -89.0 112.92 23.96 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.72 148.52 32.12 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.697 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.53 119.22 45.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 pt -123.1 167.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.323 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -71.34 127.94 34.24 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.372 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -86.34 130.21 34.59 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.063 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.5 ' NH2' ' HA ' ' A' ' 41' ' ' PHE . 52.2 mtt180 -101.37 -175.02 2.74 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.36 -28.62 64.19 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.303 1.049 . . . . 0.0 109.227 178.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.96 8.24 18.35 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.463 -172.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.09 107.45 18.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 122.196 -0.315 . . . . 0.0 111.783 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -113.55 132.31 55.76 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.76 127.07 29.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.62 -27.47 8.36 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.538 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -93.6 151.46 19.67 Favored 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.928 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 46.0 tt0 -86.95 123.67 32.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 174.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.92 159.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -99.58 121.55 41.36 Favored 'General case' 0 N--CA 1.411 -2.401 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.5 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 44.6 p90 -121.06 157.99 28.82 Favored 'General case' 0 CA--C 1.466 -2.272 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 1' ' ' MET . 3.4 mm-40 -94.26 173.52 7.6 Favored 'General case' 0 C--N 1.248 -3.813 0 CA-C-O 121.455 0.645 . . . . 0.0 110.513 -178.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -24.84 59.54 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.8 -5.04 49.46 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.935 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -96.12 -26.56 15.44 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.999 0.428 . . . . 0.0 109.904 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.5 mt -65.4 136.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.055 0.542 . . . . 0.0 112.318 -172.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.98 -23.53 19.53 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.051 0.929 . . . . 0.0 108.751 175.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -83.65 71.45 10.38 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.839 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.9 t -82.44 107.65 14.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.93 26.38 4.62 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.831 0.824 . . . . 0.0 110.373 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.48 -34.6 3.58 Favored Glycine 0 CA--C 1.483 -1.927 0 N-CA-C 106.068 -2.813 . . . . 0.0 106.068 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 mptt . . . . . 0 N--CA 1.411 -2.422 0 N-CA-C 101.739 -3.43 . . . . 0.0 101.739 168.699 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.498 ' H3 ' ' CD ' ' A' ' 42' ' ' GLU . 33.4 t . . . . . 0 N--CA 1.44 -0.958 0 CA-C-O 120.763 0.316 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 mtm -153.0 115.17 4.38 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' GLU . 12.4 m120 -70.52 153.29 43.07 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.647 0.737 . . . . 0.0 112.347 177.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.461 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 10.5 tpt180 -140.09 157.18 46.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.3 mt -118.97 136.52 54.05 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.5 156.11 27.24 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.528 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 49.1 mt -95.16 131.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 C-N-CA 123.455 0.702 . . . . 0.0 109.793 -177.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.38 104.74 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -89.33 -32.42 17.34 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.343 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.84 162.5 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.03 140.39 48.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -128.4 77.08 1.75 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.17 -100.78 0.6 Allowed Glycine 0 C--N 1.31 -0.911 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.861 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -105.65 15.77 26.4 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.097 0.475 . . . . 0.0 110.838 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.0 155.92 29.45 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.26 144.13 44.64 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.1 t -98.76 121.88 49.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 13.3 m -114.09 128.43 71.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.126 0.489 . . . . 0.0 110.987 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.4 tp -90.69 103.1 15.84 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.428 ' HB ' ' OE2' ' A' ' 21' ' ' GLU . 60.3 p -68.3 172.61 5.68 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.036 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -63.84 -21.04 66.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.646 0.736 . . . . 0.0 110.525 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' OE2' ' HB ' ' A' ' 19' ' ' THR . 1.7 mp0 -82.84 -8.57 59.57 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.351 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.18 28.89 47.72 Favored Glycine 0 N--CA 1.435 -1.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -112.23 146.16 38.65 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -96.58 112.63 24.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.701 0.762 . . . . 0.0 109.675 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.8 146.29 36.65 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.92 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.7 mm -103.56 121.61 55.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 pt -123.16 168.7 15.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -67.98 125.68 27.08 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.879 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -85.02 126.9 33.93 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.168 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 73.0 mtt85 -94.81 166.14 12.13 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.48 -22.49 66.75 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -91.95 3.91 54.16 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.547 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -76.28 107.48 8.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.581 0.229 . . . . 0.0 110.423 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 46.8 mtpt -113.59 145.81 40.68 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.47 136.22 26.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 C-N-CA 122.874 0.47 . . . . 0.0 111.177 -174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.01 -24.67 28.69 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.117 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 6.8 pt20 -94.18 154.93 17.32 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 122.681 -0.306 . . . . 0.0 111.767 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.7 tt0 -86.87 132.9 33.69 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.75 151.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 120.899 0.38 . . . . 0.0 110.164 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -99.84 115.68 30.16 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 37.7 p90 -128.97 173.9 10.0 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' CD ' ' H3 ' ' A' ' 0' ' ' SER . 3.2 mm-40 -107.2 170.77 7.76 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 121.292 0.568 . . . . 0.0 110.953 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.39 -25.21 61.41 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.647 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.78 -12.96 60.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.428 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -93.62 -14.48 26.42 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 122.135 -0.353 . . . . 0.0 110.792 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.78 127.16 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 120.956 0.408 . . . . 0.0 110.159 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -85.59 -36.03 20.66 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -137.24 104.78 5.5 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.766 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.9 t -86.77 -54.94 7.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 CA-C-O 121.665 0.745 . . . . 0.0 109.895 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -129.59 52.03 2.02 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.52 -40.14 3.03 Favored Glycine 0 C--O 1.221 -0.717 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -172.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.422 -1.84 0 N-CA-C 104.748 -2.316 . . . . 0.0 104.748 172.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.505 -0.786 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm -115.54 149.62 37.88 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -93.55 144.19 25.6 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 123.688 0.617 . . . . 0.0 109.897 177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 5.9 tpt180 -130.87 159.06 38.48 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.72 129.25 54.42 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 123.374 0.421 . . . . 0.0 109.981 -177.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.29 156.83 26.92 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 120.003 -1.094 . . . . 0.0 112.266 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.7 mt -94.11 128.59 45.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mm -63.58 104.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -86.49 -36.11 19.21 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.72 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -162.98 160.19 24.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -118.81 138.99 47.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 C-N-CA 123.3 0.64 . . . . 0.0 109.487 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -125.0 76.81 1.56 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.66 -101.27 0.56 Allowed Glycine 0 C--O 1.248 0.98 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.699 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mmt -103.13 6.52 38.52 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.926 0.393 . . . . 0.0 111.21 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -109.51 158.34 18.09 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.7 145.6 44.91 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.8 t -97.87 120.78 47.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 3.1 m -112.01 129.54 67.29 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 177.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 tp -95.45 103.45 15.32 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.452 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 66.8 p -66.32 171.07 5.14 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.976 0.417 . . . . 0.0 112.038 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -64.85 -16.51 63.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.621 0.724 . . . . 0.0 109.963 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.78 -10.38 51.17 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.213 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.39 36.69 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.411 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -106.6 144.18 33.64 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -101.57 113.18 26.09 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -116.9 147.33 42.3 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.28 127.2 51.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 pt -129.24 168.38 22.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-O 120.893 0.378 . . . . 0.0 110.976 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' HD2' ' OD1' ' A' ' 45' ' ' ASP . 65.1 mtt180 -64.94 126.06 26.83 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -85.09 130.35 34.63 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 94.4 mtt180 -98.31 168.07 10.45 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.82 -12.46 61.64 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -98.44 3.15 48.32 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.294 0.569 . . . . 0.0 111.2 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.473 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -78.79 116.08 18.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mppt? -117.33 150.14 39.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.07 132.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 C-N-CA 122.667 0.387 . . . . 0.0 110.566 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.63 -21.02 35.56 Favored Glycine 0 C--N 1.314 -0.642 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.716 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.3 pt20 -93.25 146.5 23.65 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 120.269 -0.573 . . . . 0.0 111.876 -177.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.09 162.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 122.662 0.385 . . . . 0.0 109.985 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p -107.88 127.12 53.45 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 29.2 p90 -131.81 168.76 17.25 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -109.86 166.93 10.54 Favored 'General case' 0 C--N 1.288 -2.087 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.133 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.15 -30.16 69.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.733 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.13 -26.06 61.97 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.165 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 28' ' ' ARG . 39.3 m-20 -78.72 -15.87 57.93 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.9 mt -74.82 114.06 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-O 121.701 0.763 . . . . 0.0 111.499 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -81.42 -5.72 58.19 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.923 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -72.48 -42.2 65.17 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 171.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.7 t -82.08 -44.76 19.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.096 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 50' ' ' ARG . 3.7 mmp_? -93.63 43.26 1.11 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.94 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.17 41.2 0.41 Allowed Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--N 1.306 -1.29 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.176 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 120.703 0.287 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mtm -115.54 133.2 56.26 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 172.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -93.74 139.73 30.48 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 1.2 tpt180 -121.47 148.05 44.96 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -112.67 131.47 55.63 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.59 156.12 26.89 Favored Glycine 0 N--CA 1.425 -2.054 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.768 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.3 mt -96.21 130.66 44.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 mm -66.67 103.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -83.92 -39.37 19.89 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.264 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -162.12 163.85 28.33 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mm -119.62 138.01 51.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.82 73.88 1.04 Allowed 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.72 -101.49 0.41 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.443 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 mmt -98.61 7.49 46.06 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.439 0.638 . . . . 0.0 110.511 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -120.17 156.32 31.34 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.29 144.82 51.56 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.97 113.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG22 ' CZ ' ' A' ' 41' ' ' PHE . 7.6 m -107.87 131.22 58.75 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.083 0.468 . . . . 0.0 111.431 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -93.14 102.27 14.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.1 p -70.32 170.57 11.53 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.366 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -64.22 -14.92 58.62 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.487 0.661 . . . . 0.0 110.939 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.55 -13.02 55.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.282 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.56 25.53 38.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.654 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -111.18 148.5 32.63 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -102.28 112.72 25.52 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.69 154.8 25.56 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.903 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -103.39 118.46 50.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.4 pt -122.42 166.29 17.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-O 120.659 0.266 . . . . 0.0 110.607 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 98.5 mtt180 -65.64 126.07 27.23 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -85.33 122.68 29.84 Favored 'General case' 0 N--CA 1.419 -1.998 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.614 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -94.34 164.72 12.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -71.94 -8.41 54.31 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.221 0.534 . . . . 0.0 111.789 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -79.62 -18.84 50.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.379 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.89 112.25 6.93 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.776 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -113.58 138.52 50.05 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.77 127.9 26.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.077 0.465 . . . . 0.0 111.459 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.08 -17.45 44.51 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 114.239 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -93.72 148.21 22.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.873 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 61.8 tt0 -82.83 120.18 25.32 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -111.33 153.91 13.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.586 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -106.56 115.4 30.14 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.6 p90 -128.84 171.48 12.23 Favored 'General case' 0 CA--C 1.47 -2.108 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -101.02 166.38 10.84 Favored 'General case' 0 C--N 1.273 -2.753 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.76 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.83 -14.15 61.89 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.759 0.79 . . . . 0.0 110.255 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -70.96 -30.61 66.93 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.719 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 3.4 m-20 -73.41 -22.56 60.2 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.673 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.4 mt -70.31 115.78 10.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 CA-C-O 121.875 0.845 . . . . 0.0 111.444 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 2.9 m-85 -74.18 -21.37 59.86 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.415 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -64.51 -29.14 70.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.203 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -82.57 -58.22 3.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.526 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -135.34 150.02 49.87 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.801 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.54 -70.69 1.17 Allowed Glycine 0 N--CA 1.437 -1.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.048 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.302 0 C-N-CA 124.474 1.109 . . . . 0.0 110.167 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.412 ' HB3' ' HG2' ' A' ' 42' ' ' GLU . 2.1 m . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt -112.2 91.66 3.74 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.0 m120 -82.22 130.07 35.0 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -118.28 159.29 23.63 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.48 132.46 55.22 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 117.863 0.301 . . . . 0.0 110.839 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.96 157.21 28.26 Favored Glycine 0 CA--C 1.483 -1.967 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.976 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 43.7 mt -98.04 131.55 44.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.427 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 46.8 mm -68.11 111.41 2.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.537 0.684 . . . . 0.0 109.798 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -86.28 -38.72 17.25 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 114.098 -1.41 . . . . 0.0 109.567 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -159.29 162.84 36.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.458 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.3 mm -126.9 132.91 69.53 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -135.85 85.64 2.17 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 -118.09 9.05 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.7 11.75 32.29 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 120.998 0.428 . . . . 0.0 110.882 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -116.27 159.42 21.89 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.48 152.82 47.3 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.193 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.03 121.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 2.8 m -109.83 130.58 62.73 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.38 102.37 14.17 Favored 'General case' 0 N--CA 1.414 -2.241 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 170.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.434 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.9 p -70.11 173.57 6.44 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.086 0.47 . . . . 0.0 112.109 -173.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -64.44 -16.07 61.75 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.514 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -86.1 -8.02 58.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.446 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.72 30.65 38.77 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.647 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -114.96 145.91 41.74 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 m-85 -101.24 113.53 26.67 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 mp -114.63 144.1 43.96 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.067 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -90.73 117.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.2 pt -125.47 170.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -83.36 131.67 35.04 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.418 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.728 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 32.4 ttt180 -73.69 134.99 43.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.641 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.18 175.26 5.79 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.55 -33.5 72.86 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -173.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 20.1 t70 -87.78 -10.02 52.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.595 0.712 . . . . 0.0 110.479 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.728 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 34.6 ttm -67.23 106.56 2.07 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.97 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 28.4 mttp -116.75 155.37 29.02 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.427 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 40.8 t -69.92 140.16 19.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.302 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.68 -25.33 27.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.24 -0.505 . . . . 0.0 114.124 174.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -94.04 154.26 17.73 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.043 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 26.8 tt0 -88.46 130.08 35.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG21 ' HE3' ' A' ' 33' ' ' MET . 18.8 m -120.36 153.73 23.45 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 -176.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 m -98.61 115.86 29.56 Favored 'General case' 0 N--CA 1.407 -2.603 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.2 p90 -123.82 168.3 12.92 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' HG2' ' HB3' ' A' ' 0' ' ' SER . 1.8 mp0 -106.26 166.53 10.46 Favored 'General case' 0 C--N 1.273 -2.721 0 O-C-N 123.429 0.455 . . . . 0.0 110.673 -177.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.55 -23.12 46.31 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 1.7 mp0 -64.91 -19.55 65.98 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 113.662 -1.608 . . . . 0.0 110.366 173.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -96.06 -12.95 24.11 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.705 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.6 mt -79.14 117.38 24.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.599 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -76.57 -15.75 59.78 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.698 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -83.45 -10.56 58.31 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.874 177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.4 t -101.04 100.75 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -99.47 -27.16 13.86 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.687 -177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.08 102.43 1.14 Allowed Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.536 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 124.314 1.045 . . . . 0.0 111.833 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.437 -1.076 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtm -129.23 129.17 44.65 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -89.37 142.04 28.02 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.345 0.593 . . . . 0.0 111.493 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 158.61 39.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.29 143.69 47.21 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.04 156.2 27.95 Favored Glycine 0 N--CA 1.426 -1.971 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.974 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 47.0 mt -95.82 129.93 45.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.417 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 34.1 mm -67.4 104.98 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.565 0.697 . . . . 0.0 109.444 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -87.63 -35.5 18.01 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.832 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -162.53 165.06 26.56 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -130.89 139.47 51.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 123.818 0.847 . . . . 0.0 109.181 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -136.96 82.87 1.96 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.31 -121.19 8.85 Favored Glycine 0 N--CA 1.424 -2.145 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 83.1 mtp -100.05 26.13 6.73 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.492 0.663 . . . . 0.0 110.32 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -118.76 148.03 43.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.8 146.56 50.88 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.327 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -99.64 113.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.5 128.91 60.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.615 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -92.01 102.18 14.74 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 104.718 -2.326 . . . . 0.0 104.718 171.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p -67.59 174.86 3.18 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -172.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -69.46 -6.68 31.97 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.189 0.995 . . . . 0.0 110.999 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -96.79 -6.83 35.21 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.187 176.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.94 59.66 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.533 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -111.01 145.05 39.15 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.845 0.323 . . . . 0.0 110.13 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -93.88 118.68 31.79 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mp -122.1 145.43 48.18 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.116 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 mm -93.78 120.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.1 pt -127.16 166.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.62 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -64.87 128.55 36.25 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.82 118.35 28.46 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.38 -179.05 5.11 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -78.55 -10.98 59.93 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.467 0.651 . . . . 0.0 110.294 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.8 -9.16 59.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.57 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -89.66 106.66 18.61 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 121.223 0.535 . . . . 0.0 111.444 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -114.29 143.44 44.86 Favored 'General case' 0 N--CA 1.422 -1.872 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 3.1 t -68.21 133.98 30.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 CA-C-O 121.255 0.55 . . . . 0.0 111.342 -175.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.23 -25.2 28.58 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.577 -0.738 . . . . 0.0 114.107 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -93.92 158.99 15.38 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.692 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.9 tt0 -89.57 128.7 36.06 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.56 161.52 23.6 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -111.73 132.21 54.79 Favored 'General case' 0 N--CA 1.401 -2.906 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -132.62 173.39 11.39 Favored 'General case' 0 C--N 1.267 -3.0 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.6 166.79 10.53 Favored 'General case' 0 C--N 1.266 -3.028 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -72.41 -23.67 61.12 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 122.286 1.041 . . . . 0.0 109.137 -177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -67.34 -25.59 66.07 Favored 'General case' 0 N--CA 1.409 -2.515 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.429 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.69 -14.4 45.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.3 mt -74.57 128.96 36.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-O 121.33 0.586 . . . . 0.0 109.994 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -83.14 -25.48 31.87 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.306 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -93.8 76.46 4.25 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.994 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.5 t -87.67 103.37 13.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.007 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -116.92 82.9 1.88 Allowed 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 176.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.71 -63.06 0.42 Allowed Glycine 0 CA--C 1.487 -1.668 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 52' ' ' LYS . 2.8 tmtt? . . . . . 0 C--N 1.299 -1.591 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.438 -1.03 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 53.7 mmm -119.6 109.4 15.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 121.396 -0.815 . . . . 0.0 111.859 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 7.4 m120 -90.92 142.29 27.92 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.09 0.471 . . . . 0.0 111.619 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -130.06 157.77 41.48 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -116.5 122.66 45.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 117.78 0.264 . . . . 0.0 110.658 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.19 156.45 26.81 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.903 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.9 mt -95.59 130.38 44.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 29.8 mm -68.77 102.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-O 121.81 0.815 . . . . 0.0 109.498 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.0 -41.89 22.03 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 113.973 -1.467 . . . . 0.0 109.075 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -160.8 147.39 15.19 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.41 HG21 HD12 ' A' ' 10' ' ' ILE . 26.9 mm -111.94 133.43 57.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -120.82 75.03 1.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.76 -100.84 0.95 Allowed Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.044 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.3 mtp -109.0 11.04 26.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.641 0.257 . . . . 0.0 111.299 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -112.21 155.99 23.08 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.4 41.48 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.637 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.8 t -100.12 113.67 36.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.1 m -107.17 127.56 62.81 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 121.125 0.488 . . . . 0.0 110.992 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -94.38 106.28 18.25 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 174.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.6 p -65.38 164.7 13.19 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.023 0.439 . . . . 0.0 112.138 -175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -60.9 -17.55 51.35 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.925 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -91.85 -20.04 21.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.168 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.28 34.07 3.5 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 119.888 -1.149 . . . . 0.0 113.941 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.15 147.29 35.23 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -103.93 116.73 32.8 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -116.92 143.75 45.34 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.7 mm -95.74 120.65 45.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.8 pt -124.31 170.89 13.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 34.7 mtm180 -74.6 128.43 35.53 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.56 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 9.7 ttt180 -78.71 125.68 29.7 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -85.36 163.15 18.72 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -72.65 -14.32 61.56 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -110.5 9.57 23.21 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 122.025 0.917 . . . . 0.0 109.985 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.56 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 36.5 ttm -78.93 118.05 20.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.97 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -113.89 151.64 31.92 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.045 0.538 . . . . 0.0 110.847 -176.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 7.4 t -75.72 142.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.251 0.62 . . . . 0.0 111.259 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.05 15.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.865 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -92.79 157.5 16.38 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.497 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -89.64 119.45 30.07 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -111.72 152.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.07 -175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 m -94.9 116.1 28.29 Favored 'General case' 0 N--CA 1.404 -2.737 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 172.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.5 p90 -120.44 172.99 7.43 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' HA ' ' O ' ' A' ' 1' ' ' MET . 38.8 mt-10 -108.67 166.17 11.0 Favored 'General case' 0 C--N 1.275 -2.634 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.185 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.88 -24.12 58.5 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.11 -18.71 64.01 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-N 113.823 -1.535 . . . . 0.0 111.064 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 29.7 m-20 -86.1 -17.07 36.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 122.086 -0.384 . . . . 0.0 110.739 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.9 mt -68.8 126.01 27.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.225 0.536 . . . . 0.0 110.986 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.74 -5.48 40.96 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.562 0.696 . . . . 0.0 111.482 -177.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -85.08 -10.0 57.34 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.23 90.39 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.63 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -138.07 21.42 2.82 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.036 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.09 12.05 24.4 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.752 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.8 mttm . . . . . 0 N--CA 1.441 -0.919 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 176.879 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.435 -1.184 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 14.1 tpt -113.22 88.09 2.75 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 177.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 2.8 m120 -85.41 127.6 34.43 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -174.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.572 ' NH1' ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -113.33 156.1 23.98 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 172.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -117.41 131.99 56.66 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 -175.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.82 156.26 26.61 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.236 -0.983 . . . . 0.0 111.766 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.7 mt -95.51 131.09 43.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 mm -65.03 106.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -90.16 -33.93 16.04 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.655 -176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -163.98 166.27 21.73 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.29 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 mm -125.27 135.35 64.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 C-N-CA 123.295 0.638 . . . . 0.0 109.32 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.55 74.13 1.1 Allowed 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.13 -101.28 0.47 Allowed Glycine 0 C--O 1.244 0.755 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.309 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -98.1 4.07 49.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.338 0.589 . . . . 0.0 110.756 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -114.86 155.21 27.23 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.17 144.73 50.87 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.19 117.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m -109.86 130.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.209 0 CA-C-O 120.926 0.393 . . . . 0.0 110.784 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -94.22 104.08 16.1 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 172.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.411 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 42.9 p -67.62 171.91 5.77 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.667 -173.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -66.64 -14.53 62.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.616 0.722 . . . . 0.0 110.349 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -89.52 -10.02 47.77 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.859 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 26.2 43.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.157 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -111.71 140.98 45.88 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.26 148.68 32.35 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.301 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.8 mm -102.79 117.83 48.78 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.2 pt -124.82 167.05 19.42 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.182 0 CA-C-O 120.78 0.324 . . . . 0.0 111.175 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 62.1 mtm180 -64.8 124.68 22.61 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.519 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -86.01 130.37 34.56 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.426 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -103.48 163.3 12.37 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.13 -18.68 64.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' O ' ' HD3' ' A' ' 34' ' ' LYS . 15.9 t70 -80.45 -15.72 56.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.711 0.291 . . . . 0.0 111.365 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.55 107.89 2.66 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 3.1 mppt? -113.41 149.1 34.63 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.12 134.57 29.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.89 -22.86 29.06 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.953 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -93.21 152.42 19.22 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.551 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 32.2 tt0 -89.23 124.52 34.45 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.31 148.6 18.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 120.967 0.413 . . . . 0.0 111.226 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -94.37 118.28 31.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 35.9 p90 -125.78 166.22 17.22 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 1' ' ' MET . 1.9 mp0 -105.4 170.35 7.94 Favored 'General case' 0 C--N 1.272 -2.776 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.01 -27.53 66.63 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.31 -23.78 67.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.918 176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 15.3 m-20 -79.65 -22.54 43.43 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.281 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.48 115.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 CA-C-O 121.512 0.672 . . . . 0.0 111.224 -175.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.461 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 -83.59 -12.05 56.56 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.937 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -64.95 111.11 2.7 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 123.457 0.473 . . . . 0.0 110.004 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.76 84.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -98.31 98.82 10.02 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.546 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.52 -160.53 13.92 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 C--N 1.299 -1.623 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.656 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.444 -0.725 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 mtm -113.65 124.9 53.42 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -90.55 133.56 34.99 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.77 0.319 . . . . 0.0 110.577 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -120.53 153.56 36.54 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -113.94 134.85 54.56 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.01 155.98 26.6 Favored Glycine 0 N--CA 1.428 -1.862 0 C-N-CA 120.325 -0.941 . . . . 0.0 111.31 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 52.3 mt -95.1 130.89 43.26 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.22 104.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -84.73 -37.34 21.01 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.542 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -164.01 164.74 22.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mm -120.63 139.12 48.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 C-N-CA 122.85 0.46 . . . . 0.0 109.934 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.41 74.56 1.06 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 -102.99 0.81 Allowed Glycine 0 C--N 1.312 -0.75 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.4 mtp -106.32 18.24 22.28 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.599 0.714 . . . . 0.0 110.529 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -118.74 158.42 25.59 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.17 144.65 45.11 Favored 'General case' 0 C--N 1.288 -2.095 0 CA-C-O 120.563 0.22 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.36 114.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -108.43 125.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 55.5 tp -89.54 102.28 14.96 Favored 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 p -66.53 167.86 10.13 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.664 -174.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -68.86 -5.03 18.62 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.48 0.657 . . . . 0.0 110.318 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.52 -11.22 30.0 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.41 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.89 27.64 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.291 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 30.7 mt-10 -115.81 154.57 29.42 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.49 113.07 26.43 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.28 144.42 43.76 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.791 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -93.89 122.24 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.6 pt -126.4 171.43 15.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 132.85 48.02 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 174.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -86.27 122.15 29.86 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 119.244 -0.982 . . . . 0.0 108.957 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.674 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 72.2 mtt180 -88.95 172.79 8.88 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -73.32 -9.28 58.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -168.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -115.89 8.4 14.72 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.605 0.717 . . . . 0.0 112.0 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.674 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -70.64 108.71 4.51 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.378 -179.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -113.82 144.14 43.5 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 108.561 -0.904 . . . . 0.0 108.561 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.8 123.71 21.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-O 121.027 0.441 . . . . 0.0 111.378 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.21 -23.62 10.47 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.248 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -93.31 156.97 16.48 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.784 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 52.4 tt0 -91.47 118.77 30.85 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.51 149.34 13.45 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.176 0.512 . . . . 0.0 111.264 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 p -96.46 116.25 28.75 Favored 'General case' 0 N--CA 1.415 -2.198 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.507 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -125.04 170.68 10.92 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -103.12 163.86 11.97 Favored 'General case' 0 C--N 1.273 -2.745 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.37 -14.78 61.81 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.287 0.565 . . . . 0.0 110.159 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.65 -29.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.092 174.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.39 -13.67 59.88 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.414 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.4 mt -68.11 118.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 121.4 0.619 . . . . 0.0 110.574 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -81.31 -9.9 59.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.303 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -56.43 137.34 53.12 Favored 'General case' 0 CA--C 1.498 -1.031 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t -85.03 -69.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.078 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -125.48 -85.13 0.63 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.35 65.67 1.27 Allowed Glycine 0 N--CA 1.434 -1.46 0 N-CA-C 109.806 -1.318 . . . . 0.0 109.806 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.241 0.614 0 C-N-CA 123.861 0.864 . . . . 0.0 109.138 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.443 -0.809 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.9 mtp -140.98 120.93 13.6 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 122.476 0.31 . . . . 0.0 110.241 -177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -68.64 148.04 51.02 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 172.676 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.7 tpt180 -143.39 155.69 44.48 Favored 'General case' 0 C--N 1.29 -2.011 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -111.18 130.31 55.68 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.497 0.498 . . . . 0.0 110.338 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.61 155.76 26.42 Favored Glycine 0 N--CA 1.428 -1.844 0 C-N-CA 119.966 -1.112 . . . . 0.0 111.806 177.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 40.2 mt -95.11 128.15 46.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.7 101.03 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -85.76 -34.93 21.05 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.837 -176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.69 159.82 30.74 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -121.43 134.27 65.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.32 73.5 1.05 Allowed 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.04 -100.66 0.35 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.731 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 mmt -95.74 1.69 53.51 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.34 0.656 . . . . 0.0 110.609 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -112.07 157.13 21.15 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.94 140.68 44.19 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.7 119.54 43.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 6.4 m -109.68 129.24 64.9 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-O 121.234 0.54 . . . . 0.0 110.946 178.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -93.82 102.82 14.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.422 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 40.5 p -68.22 168.99 11.2 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.4 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -68.86 -8.88 47.94 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.466 0.651 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 3' ' ' ARG . 25.9 mt-10 -88.2 -15.52 35.76 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.969 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.74 22.18 31.75 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.532 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -110.03 145.65 36.67 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -98.71 116.15 30.3 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.27 148.08 41.98 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 mm -98.37 124.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.9 pt -125.86 169.13 17.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -69.75 128.16 35.47 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -87.64 124.85 33.97 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.426 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 81.2 mtt180 -92.69 169.75 10.25 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -77.07 -7.2 55.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.654 0.74 . . . . 0.0 110.631 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.88 -6.95 53.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.472 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.426 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -73.98 121.14 20.55 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.388 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.1 mttm -120.22 139.92 51.95 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 175.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -69.21 133.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.22 -23.71 32.49 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.39 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.2 pt20 -93.21 148.69 21.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 118.095 0.947 . . . . 0.0 112.367 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.1 tt0 -83.22 121.51 27.19 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -116.23 161.57 14.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.255 -175.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 120.4 41.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 28.9 p90 -122.17 173.91 7.29 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -107.65 168.82 8.99 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-O 120.996 0.426 . . . . 0.0 110.049 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.2 -24.18 59.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.557 0.694 . . . . 0.0 110.709 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.31 -10.9 59.87 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.484 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -90.36 -21.44 21.98 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.9 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.64 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.521 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.3 m-85 -76.39 -13.1 60.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.022 0.915 . . . . 0.0 110.645 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -72.66 -30.96 64.72 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.743 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -91.52 -61.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -82.75 114.26 20.97 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.367 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.71 -59.64 4.69 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.196 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt . . . . . 0 C--N 1.316 -0.885 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.776 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.441 ' OG ' ' HG3' ' A' ' 44' ' ' GLU . 73.6 p . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 121.023 0.439 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 mtm -131.97 146.75 52.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.8 m120 -91.65 161.98 14.69 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.157 0.503 . . . . 0.0 111.171 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 12.3 tpt180 -146.84 151.02 36.41 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 174.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.91 125.71 53.95 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 123.142 0.276 . . . . 0.0 110.657 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.96 156.18 26.56 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 119.63 -1.271 . . . . 0.0 111.805 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.2 mt -95.16 130.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.9 mm -67.98 104.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.34 -35.55 27.76 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.536 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -164.39 158.77 18.93 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.0 mm -114.33 143.58 23.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.58 76.49 1.71 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.76 -109.67 3.01 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.4 mtp -106.07 16.4 25.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.704 0.764 . . . . 0.0 110.083 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -111.54 159.34 18.21 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.58 143.22 47.24 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -99.39 113.08 33.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 3.5 m -104.54 134.51 45.69 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.037 0 CA-C-O 121.065 0.46 . . . . 0.0 111.034 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.03 102.6 14.4 Favored 'General case' 0 N--CA 1.407 -2.59 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 64.5 p -69.86 167.42 17.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.656 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -58.62 -24.68 61.56 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.259 0.552 . . . . 0.0 111.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.95 -19.82 60.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.89 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.09 24.17 15.53 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -106.16 144.79 32.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 42.5 m-85 -101.98 113.31 26.43 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mp -112.6 146.28 38.87 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.451 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.89 120.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 pt -125.92 163.99 26.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.5 131.47 46.11 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -89.51 125.62 35.26 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 88.8 mtt180 -99.9 175.25 5.84 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 174.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -67.24 -22.96 65.66 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.91 7.51 36.92 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.1 mpt? -88.95 114.17 25.28 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.4 t -65.26 131.49 31.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-O 120.867 0.365 . . . . 0.0 111.048 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.67 -27.19 18.79 Favored Glycine 0 N--CA 1.432 -1.618 0 C-N-CA 121.226 -0.512 . . . . 0.0 113.828 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -93.7 158.04 15.87 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.429 0.615 . . . . 0.0 112.003 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 60.3 tt0 -93.77 121.66 35.45 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.5 m -115.39 156.34 16.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.987 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.007 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -102.44 116.11 31.95 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 26.5 p90 -120.26 173.84 6.88 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -109.2 167.97 9.72 Favored 'General case' 0 C--N 1.274 -2.697 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.512 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.04 -22.06 64.98 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.748 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HG3' ' OG ' ' A' ' 0' ' ' SER . 43.0 mt-10 -75.69 -15.36 60.31 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.58 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -89.49 -19.45 25.06 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.8 mt -76.09 121.1 27.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-O 121.071 0.462 . . . . 0.0 111.399 -174.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -76.72 -25.81 53.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.439 ' HA ' ' OXT' ' A' ' 52' ' ' LYS . 3.4 m-20 -76.63 150.9 36.37 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.939 175.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.8 t -93.43 -57.82 4.09 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 175.7 103.76 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.61 -33.98 6.04 Favored Glycine 0 C--N 1.304 -1.229 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' OXT' ' HA ' ' A' ' 48' ' ' ASN . 5.2 tmtm? . . . . . 0 N--CA 1.417 -2.117 0 N-CA-C 102.566 -3.124 . . . . 0.0 102.566 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.54 0.563 0 CA-C-O 121.032 0.444 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' HB2' ' ND2' ' A' ' 43' ' ' ASN . 83.4 mtp -152.76 93.79 1.8 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.987 0.915 . . . . 0.0 108.728 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 22.3 m120 -57.14 122.84 13.36 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.257 0.551 . . . . 0.0 110.297 173.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -117.42 152.42 35.02 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.18 130.74 57.0 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -154.2 155.97 26.53 Favored Glycine 0 CA--C 1.481 -2.091 0 C-N-CA 119.88 -1.152 . . . . 0.0 111.83 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 56.3 mt -94.67 127.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mm -65.32 106.56 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -83.17 -40.3 19.9 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.118 -1.401 . . . . 0.0 109.55 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -165.61 160.33 17.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.02 139.51 39.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 74.72 1.34 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.05 -104.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.4 mmt -103.75 8.73 37.26 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.149 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 50.7 mtmt -110.27 159.06 17.74 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.46 141.43 45.36 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -96.22 114.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -106.91 131.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.828 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.51 102.27 14.03 Favored 'General case' 0 N--CA 1.409 -2.498 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 p -65.91 168.12 8.57 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.476 -174.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 p -65.23 -13.95 59.53 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.532 0.682 . . . . 0.0 110.923 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -86.26 -9.07 57.19 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.185 0.994 . . . . 0.0 110.782 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.26 23.65 43.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.835 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -111.87 144.66 40.83 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -97.63 113.04 24.69 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.93 146.38 35.28 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -98.15 120.44 47.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.3 pt -124.83 171.1 14.12 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-O 120.806 0.336 . . . . 0.0 110.462 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -76.48 132.85 39.83 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -89.87 126.17 35.61 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -73.97 -11.25 60.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 110.371 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.68 -12.8 59.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.948 0.899 . . . . 0.0 110.958 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -95.49 113.02 24.63 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 120.986 0.422 . . . . 0.0 112.022 -174.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 62.5 mtpt -132.66 144.64 50.47 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.41 128.73 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.998 -173.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 -28.79 9.5 Favored Glycine 0 N--CA 1.435 -1.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.979 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.9 pt20 -93.45 156.79 16.55 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.866 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.6 tt0 -88.82 126.57 35.42 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -114.84 162.4 12.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.79 122.37 47.47 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 27.4 p90 -136.35 169.18 18.09 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.88 175.94 5.32 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.494 ' ND2' ' HB2' ' A' ' 1' ' ' MET . 0.7 OUTLIER -71.42 -28.22 63.84 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.855 178.78 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -70.57 -18.01 62.91 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.223 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.73 -20.51 39.21 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -74.03 129.36 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.735 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -72.0 -34.86 69.22 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.941 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -75.71 -55.45 5.63 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.66 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.0 t 54.22 62.0 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 -168.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -87.69 146.84 25.5 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 114.605 -1.18 . . . . 0.0 112.558 -169.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.16 -40.53 0.06 OUTLIER Glycine 0 C--N 1.292 -1.862 0 N-CA-C 104.534 -3.426 . . . . 0.0 104.534 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.9 tttp . . . . . 0 N--CA 1.417 -2.114 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 169.329 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.432 -1.362 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt -87.49 85.87 7.16 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.493 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 12.3 m120 -84.57 126.99 33.82 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.36 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -115.52 154.37 29.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.5 mt -109.97 133.6 53.01 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.27 156.11 26.63 Favored Glycine 0 CA--C 1.483 -1.929 0 C-N-CA 120.212 -0.994 . . . . 0.0 111.983 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.3 mt -97.24 128.82 48.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.32 105.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -89.03 -35.22 16.49 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.488 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -164.51 168.04 18.76 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -174.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG22 ' NH1' ' A' ' 29' ' ' ARG . 26.2 mm -124.56 141.25 45.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -129.93 74.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 123.171 0.588 . . . . 0.0 109.795 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.55 -111.26 3.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.7 mmt -98.13 10.76 39.72 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.644 0.735 . . . . 0.0 110.567 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 91.5 mttt -114.82 159.08 21.04 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.25 149.51 50.96 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.5 115.4 44.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.6 m -108.93 128.52 64.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.086 0.47 . . . . 0.0 111.424 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 tp -91.24 102.08 14.8 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.43 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 20.7 p -66.37 166.7 11.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.28 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -69.59 -5.41 24.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.827 0.822 . . . . 0.0 110.195 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.82 -1.48 40.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.3 20.47 62.41 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.29 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -115.59 145.57 42.55 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 117.891 0.846 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -92.99 113.03 25.2 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.12 141.17 44.97 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-O 120.864 0.364 . . . . 0.0 110.245 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -92.75 117.39 36.03 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.89 170.06 16.44 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.934 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -65.89 128.84 37.61 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.624 0.577 . . . . 0.0 109.678 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' NH1' HG22 ' A' ' 10' ' ' ILE . 12.1 ttt180 -84.05 125.53 32.19 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.561 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 3.0 mpt_? -91.96 165.11 13.38 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.9 -31.34 72.38 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -85.88 0.21 53.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.35 107.6 1.39 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.958 0.408 . . . . 0.0 111.785 -179.23 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' ' OE1' ' A' ' 37' ' ' GLN . 35.4 mtmm -113.42 141.66 46.82 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 t -72.89 130.23 35.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 123.368 0.418 . . . . 0.0 110.648 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.88 -23.69 12.79 Favored Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 116.145 -0.479 . . . . 0.0 113.67 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 13.7 pt20 -94.11 153.31 18.19 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 122.313 -0.521 . . . . 0.0 112.297 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.0 tt0 -88.7 126.39 35.29 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 174.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.62 162.54 16.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.918 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -109.66 125.48 52.66 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.6 p90 -132.03 164.67 25.69 Favored 'General case' 0 CA--C 1.483 -1.61 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -103.16 169.29 8.64 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 123.773 0.671 . . . . 0.0 109.863 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.28 -20.89 60.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 120.897 0.379 . . . . 0.0 111.555 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.94 -35.26 80.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.937 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' CG ' HH21 ' A' ' 30' ' ' ARG . 3.6 m-20 -82.46 -7.9 59.63 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.199 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.1 mt -75.78 119.57 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-O 121.507 0.67 . . . . 0.0 110.037 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 9.3 m-85 -84.68 -15.72 44.32 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.823 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.11 17.63 2.41 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -81.86 103.11 8.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -88.64 147.49 24.51 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.023 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.25 86.84 0.46 Allowed Glycine 0 N--CA 1.424 -2.118 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.311 -1.092 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.442 ' H3 ' ' CD ' ' A' ' 42' ' ' GLU . 2.9 p . . . . . 0 N--CA 1.431 -1.394 0 CA-C-O 121.075 0.464 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mtm -135.73 83.67 2.03 Favored 'General case' 0 N--CA 1.438 -1.067 0 O-C-N 121.817 -0.552 . . . . 0.0 110.406 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.554 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.0 m120 -59.3 126.17 26.58 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.201 172.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 6.1 tpt180 -119.1 156.27 30.05 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.5 mt -107.96 132.54 53.4 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.79 155.35 26.22 Favored Glycine 0 CA--C 1.477 -2.307 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.789 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 16.0 mt -100.3 130.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.252 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.38 105.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 121.445 0.64 . . . . 0.0 109.557 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -86.3 -37.44 18.54 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.244 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -162.29 158.02 23.65 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.609 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mm -112.87 137.09 47.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 75.06 1.3 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.31 -110.75 3.44 Favored Glycine 0 C--O 1.245 0.81 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.4 mtp -104.26 17.85 23.29 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.437 0.637 . . . . 0.0 110.372 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 57.3 mttp -118.29 162.37 18.38 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.29 146.89 45.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 120.651 0.262 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.72 115.65 39.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -109.73 130.31 63.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 CA-C-O 121.058 0.456 . . . . 0.0 111.762 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 24' ' ' PHE . 56.3 tp -90.16 102.24 14.96 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 170.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.0 p -74.49 174.45 8.93 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.8 -172.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -65.46 -11.71 45.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.063 0.945 . . . . 0.0 110.125 174.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.86 -10.52 45.01 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.752 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.97 14.77 80.26 Favored Glycine 0 C--O 1.24 0.513 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -104.85 141.71 36.03 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 43.7 m-85 -95.56 113.4 25.04 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.8 mp -109.63 150.6 28.0 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.091 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mm -100.93 113.76 37.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 pt -123.2 170.55 13.33 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.229 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.35 134.12 50.9 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -85.05 129.36 34.81 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.5 mtt180 -101.98 -176.13 3.04 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -74.49 -33.33 62.8 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.899 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -82.4 11.0 6.01 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.725 0.774 . . . . 0.0 112.095 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.466 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -76.52 107.43 8.8 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.437 -0.789 . . . . 0.0 110.273 178.461 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HE3' ' NE2' ' A' ' 37' ' ' GLN . 30.4 mtmt -125.7 131.86 52.5 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 t -61.93 120.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 120.916 0.389 . . . . 0.0 110.968 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 -28.09 8.19 Favored Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.716 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -94.42 160.4 14.68 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 51.8 tt0 -95.73 125.92 40.64 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.714 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.18 152.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.475 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m -98.9 115.86 29.82 Favored 'General case' 0 N--CA 1.413 -2.284 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 50.9 p90 -121.1 172.65 7.81 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' CD ' ' H3 ' ' A' ' 0' ' ' SER . 1.7 mm-40 -112.45 175.72 5.32 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 121.176 0.512 . . . . 0.0 111.384 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -21.82 60.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.783 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.64 -28.67 62.88 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.914 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -12.62 59.09 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.341 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.6 mt -75.46 122.8 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 CA-C-O 121.267 0.555 . . . . 0.0 110.127 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.404 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.5 m-85 -81.53 -21.76 38.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.488 177.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -71.01 134.01 46.8 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 170.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.3 t -71.94 93.21 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -169.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.16 2.82 23.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.038 174.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.45 -159.52 10.03 Favored Glycine 0 N--CA 1.432 -1.631 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.9 mttt . . . . . 0 C--N 1.295 -1.783 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 175.042 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.539 ' HB2' ' OD1' ' A' ' 43' ' ' ASN . 13.9 mtp -59.13 154.16 16.55 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.833 0.853 . . . . 0.0 112.713 -175.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.592 ' ND2' ' HG3' ' A' ' 42' ' ' GLU . 7.2 m120 -93.71 151.69 19.47 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.387 172.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -139.35 156.48 46.98 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.601 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -122.97 132.05 53.98 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.04 155.65 26.32 Favored Glycine 0 CA--C 1.477 -2.306 0 C-N-CA 119.74 -1.219 . . . . 0.0 111.903 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 59.9 mt -95.1 129.91 44.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.2 mm -66.74 108.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -88.37 -34.25 17.66 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.507 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -164.58 153.8 13.3 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -118.15 144.98 24.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.53 74.65 1.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 175.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.5 -103.18 0.98 Allowed Glycine 0 N--CA 1.439 -1.127 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 mtp -105.78 16.18 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.252 0.549 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -114.32 153.41 29.82 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.99 140.64 42.3 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.5 t -96.34 113.15 29.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -105.49 128.54 59.44 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.465 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.0 tp -94.11 101.93 13.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 170.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.435 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 33.0 p -63.56 168.29 4.84 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.131 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -66.69 -14.41 62.47 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.502 0.668 . . . . 0.0 110.37 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.42 -1.27 57.63 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.467 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 29.34 51.79 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.974 -0.557 . . . . 0.0 114.052 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -116.01 148.4 40.19 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 117.525 0.662 . . . . 0.0 110.31 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.453 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 54.1 m-85 -98.04 118.19 34.09 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -120.83 148.54 43.88 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.661 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.05 116.04 36.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -120.31 164.09 17.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-O 120.954 0.407 . . . . 0.0 110.41 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -73.31 120.68 19.25 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 30.4 ttt180 -73.66 131.31 41.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.989 -177.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.56 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 96.5 mtt180 -96.69 178.09 5.44 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 174.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.22 -43.83 97.0 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.06 20.34 1.24 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.56 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -82.98 105.92 14.38 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.256 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -119.28 136.52 54.19 Favored 'General case' 0 N--CA 1.425 -1.72 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.69 124.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 123.255 0.347 . . . . 0.0 110.693 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.83 -29.36 7.21 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.417 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -93.98 155.25 17.24 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.036 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.7 tt0 -87.96 125.6 34.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.2 151.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.945 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.85 127.12 50.16 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 30.8 p90 -140.85 -179.87 6.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.592 ' HG3' ' ND2' ' A' ' 2' ' ' ASN . 2.2 mp0 -114.73 167.54 10.67 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.539 ' OD1' ' HB2' ' A' ' 1' ' ' MET . 7.6 m120 -64.37 -18.66 64.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.524 0.678 . . . . 0.0 110.73 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.2 -17.94 58.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.099 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.47 -24.03 34.42 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.1 mt -67.39 139.88 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.715 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -77.56 -3.29 39.96 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.189 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -111.89 107.08 15.98 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.8 t -129.91 160.24 41.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -95.51 86.76 4.55 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.271 0.558 . . . . 0.0 110.09 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.69 -132.95 2.43 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--N 1.316 -0.877 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.507 177.67 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.239 0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 ptm -175.25 121.08 0.2 Allowed 'General case' 0 C--O 1.253 1.257 0 C-N-CA 124.447 1.099 . . . . 0.0 109.786 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.515 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 27.2 m120 -75.22 150.23 38.69 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.888 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.8 tpt180 -130.83 156.77 44.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 175.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.69 137.04 47.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.933 0.397 . . . . 0.0 111.166 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.26 155.92 26.91 Favored Glycine 0 N--CA 1.42 -2.394 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.4 mt -99.38 127.67 51.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 mm -64.76 110.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -91.91 -32.8 15.15 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.274 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -162.7 141.04 8.53 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -110.24 131.64 60.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -135.51 89.74 2.54 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.53 -106.87 1.87 Allowed Glycine 0 N--CA 1.433 -1.555 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.284 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mmt -108.58 12.01 26.28 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.224 0.535 . . . . 0.0 109.922 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 94.2 mttt -114.25 155.46 26.12 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 140.59 45.28 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.202 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.39 119.83 45.95 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.75 129.49 63.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-O 120.98 0.419 . . . . 0.0 110.896 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.5 tp -92.79 102.1 14.49 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 171.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.429 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 44.3 p -71.42 175.17 5.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.565 -172.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -67.82 -8.37 35.53 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.362 0.665 . . . . 0.0 111.188 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -98.17 -0.62 43.91 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.688 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.24 20.35 77.35 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.532 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -101.36 147.18 26.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.06 112.78 24.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.46 147.66 33.61 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.38 120.82 47.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 46' ' ' ILE . 42.1 pt -126.84 164.36 27.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -69.62 132.36 46.08 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.154 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.763 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 57.2 ttt180 -78.11 137.76 38.38 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.618 0.723 . . . . 0.0 110.234 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -110.55 173.67 6.22 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -65.81 -41.48 91.84 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.14 0.495 . . . . 0.0 112.152 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -90.55 17.43 7.47 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.063 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.763 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 43.9 ttm -98.65 106.88 19.2 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 2.1 mtpm? -125.62 155.29 40.99 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.16 130.99 35.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 120.581 0.229 . . . . 0.0 110.88 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.15 -27.83 9.8 Favored Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.265 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.482 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 13.0 pt20 -93.69 147.08 23.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 44.0 tt0 -86.52 117.08 25.07 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.98 154.83 15.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -95.95 116.14 28.49 Favored 'General case' 0 N--CA 1.417 -2.09 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.515 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.9 p90 -120.03 164.34 16.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.32 166.57 11.65 Favored 'General case' 0 C--N 1.261 -3.251 0 CA-C-O 121.284 0.564 . . . . 0.0 110.222 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.39 -20.57 65.56 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.987 0.898 . . . . 0.0 108.836 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.39 -12.39 60.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.85 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.15 -18.6 23.28 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 27' ' ' ILE . 18.5 mt -72.84 123.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 -173.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 2.2 m-85 -71.91 -27.8 63.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.841 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -74.19 93.55 2.34 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.5 t -70.61 105.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 121.343 0.592 . . . . 0.0 111.096 -175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -106.4 136.94 45.27 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.38 -169.48 29.67 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.308 -1.216 0 CA-C-N 116.689 0.244 . . . . 0.0 111.345 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.523 ' H1 ' ' CD ' ' A' ' 42' ' ' GLU . 6.9 m . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 121.032 0.444 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.4 mtp -145.0 81.83 1.65 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 19.7 m120 -65.43 134.37 53.32 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.291 0.567 . . . . 0.0 112.036 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.455 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.1 tpt180 -122.05 156.41 33.6 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -112.47 130.98 55.8 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -153.18 156.33 26.67 Favored Glycine 0 CA--C 1.478 -2.244 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.985 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 39.6 mt -100.67 130.98 49.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.413 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 32.6 mm -65.27 107.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-O 121.496 0.665 . . . . 0.0 109.935 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -85.6 -40.22 16.48 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.723 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -162.78 161.09 26.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 HG23 ' NH1' ' A' ' 29' ' ' ARG . 28.2 mm -120.29 144.1 30.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.14 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.33 74.43 1.55 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.25 -101.31 0.42 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.063 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 mmt -98.9 4.79 47.49 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.184 0.516 . . . . 0.0 111.197 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -113.79 155.67 25.24 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.8 44.68 Favored 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.77 112.8 33.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 m -108.67 123.82 64.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 CA-C-O 121.21 0.529 . . . . 0.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -89.93 102.82 15.53 Favored 'General case' 0 N--CA 1.419 -2.009 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.462 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.2 p -64.71 162.45 15.86 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.493 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -66.39 -10.33 42.47 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.837 0.827 . . . . 0.0 110.743 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' CD ' HH21 ' A' ' 3' ' ' ARG . 36.4 mt-10 -100.72 0.42 38.9 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.928 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.69 18.22 55.12 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -107.32 140.9 39.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 117.298 0.549 . . . . 0.0 110.309 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -96.2 113.41 25.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -111.28 148.81 32.1 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -103.93 115.25 45.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.9 pt -124.07 170.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-O 120.842 0.353 . . . . 0.0 111.222 -176.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 77.3 mtt180 -69.6 128.94 38.26 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 172.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' NH1' HG23 ' A' ' 10' ' ' ILE . 7.9 ttt180 -83.28 120.34 25.72 Favored 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.748 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.525 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.7 mtt180 -91.19 173.83 7.72 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -73.52 -8.54 56.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.917 0.389 . . . . 0.0 111.769 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -79.01 -43.67 23.84 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.292 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.525 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.4 mpt? -50.52 112.78 0.75 Allowed 'General case' 0 C--O 1.244 0.794 0 C-N-CA 125.622 1.569 . . . . 0.0 114.541 -173.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -119.47 140.83 49.82 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 174.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 17.2 t -64.6 122.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.76 0.314 . . . . 0.0 111.159 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.9 -22.91 22.71 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.783 178.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -93.25 154.2 18.15 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.384 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.3 tt0 -85.26 128.95 34.88 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.37 156.93 23.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 t -104.44 116.25 31.78 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 43.5 p90 -121.1 178.51 4.72 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.523 ' CD ' ' H1 ' ' A' ' 0' ' ' SER . 3.6 mm-40 -116.27 169.91 8.93 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-O 121.219 0.533 . . . . 0.0 111.737 -178.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -78.07 -22.84 48.45 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.459 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -82.65 -3.26 55.99 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.693 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 m-20 -102.29 -10.29 19.64 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.4 mt -75.12 125.92 35.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 -81.99 -18.24 44.09 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.625 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -67.53 129.51 40.12 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.556 -2.016 . . . . 0.0 105.556 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 t -70.63 91.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-O 121.833 0.825 . . . . 0.0 112.773 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.7 126.05 3.83 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 173.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.38 57.21 0.59 Allowed Glycine 0 N--CA 1.428 -1.834 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -176.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? . . . . . 0 C--N 1.308 -1.229 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.399 -177.649 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 84.0 m-20 . . . . . 0 N--CA 1.433 -1.277 0 CA-C-O 121.912 0.863 . . . . 0.0 113.014 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -125.64 152.43 45.19 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.278 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -115.91 129.71 56.52 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.12 156.06 26.58 Favored Glycine 0 CA--C 1.479 -2.188 0 C-N-CA 119.643 -1.265 . . . . 0.0 112.187 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.8 mt -95.04 128.34 46.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.463 HD11 ' HG3' ' A' ' 33' ' ' MET . 43.6 mm -66.57 102.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -86.33 -35.41 19.88 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.047 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -162.32 163.21 28.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -125.77 136.42 60.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.88 73.92 1.24 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 -103.11 0.52 Allowed Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.0 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 mmt -95.35 8.21 43.86 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.066 0.46 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -114.58 155.29 26.79 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 141.86 45.15 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -96.96 117.21 41.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.91 128.26 64.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 CA-C-O 121.02 0.438 . . . . 0.0 111.04 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -94.95 102.39 14.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.565 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 35.3 p -70.88 174.62 5.9 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -172.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -66.98 -15.96 64.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.526 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -87.57 -12.32 46.07 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.366 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.6 28.77 37.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.211 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.76 146.59 34.71 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -100.43 113.83 26.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.05 151.03 34.98 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.55 118.65 48.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 pt -122.68 166.07 17.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.59 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 81.5 mtt180 -64.37 134.82 55.36 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -89.39 123.02 33.16 Favored 'General case' 0 C--N 1.284 -2.25 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.763 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.6 mtt180 -98.64 175.33 6.03 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 174.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -71.26 -13.17 61.81 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.17 0.509 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.73 -16.72 59.42 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.897 0.879 . . . . 0.0 110.851 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.463 ' HG3' HD11 ' A' ' 7' ' ' ILE . 1.2 mpt? -80.57 107.0 13.01 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -173.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -114.3 136.44 52.97 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.03 125.64 23.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 O-C-N 123.134 0.271 . . . . 0.0 110.274 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.72 -28.41 8.54 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.685 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -93.69 151.98 19.28 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 117.778 0.789 . . . . 0.0 112.974 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 64.5 tt0 -86.99 116.3 24.95 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.109 -0.951 . . . . 0.0 108.515 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -110.99 152.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -98.07 116.19 29.79 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 29.1 p90 -123.23 177.26 5.65 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.01 167.26 10.12 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 4.5 m-20 -76.82 -23.84 52.76 Favored 'General case' 0 CA--C 1.491 -1.326 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.67 -22.53 66.53 Favored 'General case' 0 N--CA 1.416 -2.144 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.92 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 5.8 m-20 -86.63 -12.5 48.34 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 43' ' ' ASN . 45.4 mt -79.44 128.01 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-O 121.675 0.75 . . . . 0.0 110.485 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.304 -1.372 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.757 178.877 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m120 . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -112.53 152.35 28.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -114.91 125.75 54.01 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.676 0.274 . . . . 0.0 110.267 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.91 156.46 26.76 Favored Glycine 0 CA--C 1.479 -2.167 0 C-N-CA 120.181 -1.009 . . . . 0.0 111.332 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.532 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.9 mt -99.76 130.12 49.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.96 103.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -86.19 -37.88 18.24 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.089 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -159.94 164.74 33.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 mm -120.05 139.96 45.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -127.91 74.59 1.55 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.65 -103.79 0.82 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.506 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 mmt -102.09 11.8 37.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.226 0.536 . . . . 0.0 110.765 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -117.89 159.77 22.54 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.13 142.38 50.23 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -97.74 113.23 31.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.2 128.04 63.97 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 tp -92.23 103.62 16.07 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.455 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 30.1 p -66.29 164.84 15.12 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.236 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -66.86 -4.59 9.69 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.431 0.634 . . . . 0.0 111.704 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.71 -10.46 40.08 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.861 0.864 . . . . 0.0 109.743 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 28.03 27.72 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.627 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -115.64 144.87 43.29 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -96.44 113.27 24.84 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -113.5 153.9 27.94 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.648 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -107.75 117.89 54.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.24 165.91 18.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.38 125.22 23.45 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.96 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -81.15 129.54 34.62 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.314 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -105.45 178.91 4.42 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -74.9 -18.59 60.39 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.6 t70 -87.8 -9.31 54.27 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.095 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.62 106.97 0.73 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.753 1.019 . . . . 0.0 113.753 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 42.6 mttp -115.23 136.68 52.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.05 122.81 20.0 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 120.622 0.249 . . . . 0.0 110.732 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.85 -22.51 11.56 Favored Glycine 0 N--CA 1.434 -1.469 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.977 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.7 pt20 -92.85 151.36 20.03 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.004 -0.679 . . . . 0.0 111.53 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 47.4 tt0 -89.29 126.85 35.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 175.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 m -117.5 146.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.21 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 m -91.02 115.71 28.22 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -124.2 167.2 14.6 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -102.68 158.54 16.17 Favored 'General case' 0 C--N 1.257 -3.434 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.626 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 10.9 m-80 -72.76 -15.54 61.66 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 122.501 1.143 . . . . 0.0 109.139 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.45 -20.55 59.98 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.107 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.36 -6.77 43.48 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 43' ' ' ASN . 89.5 mt -70.14 122.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.02 0.438 . . . . 0.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.238 0.475 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.841 -179.15 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.7 m120 . . . . . 0 C--O 1.241 0.649 0 CA-C-O 121.673 0.749 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -131.71 156.54 45.73 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -116.47 130.49 56.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.88 155.98 26.59 Favored Glycine 0 CA--C 1.479 -2.189 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.667 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -95.67 131.76 41.61 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.432 HD13 HG12 ' A' ' 17' ' ' VAL . 44.8 mm -65.43 101.63 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -83.49 -36.87 23.78 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.551 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -162.11 164.25 28.12 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.158 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -123.76 137.34 57.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.5 77.01 1.67 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.1 -104.93 1.05 Allowed Glycine 0 C--N 1.314 -0.669 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.96 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.1 mmt -99.1 5.08 47.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.201 0.524 . . . . 0.0 110.469 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 86.8 mttt -110.22 156.67 20.35 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.38 44.46 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.33 115.22 41.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 7' ' ' ILE . 1.8 m -106.35 129.52 59.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.318 0.58 . . . . 0.0 110.96 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.4 tp -95.38 104.78 16.69 Favored 'General case' 0 N--CA 1.41 -2.454 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.509 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 23.1 p -65.46 161.42 20.02 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -177.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -63.03 -14.8 52.55 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 123.611 0.764 . . . . 0.0 111.436 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -97.63 5.1 49.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.177 0.991 . . . . 0.0 110.516 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.13 32.86 47.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.23 -0.509 . . . . 0.0 114.078 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -115.92 133.47 55.99 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -92.24 121.05 33.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.6 mp -117.84 145.59 44.47 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.58 113.53 35.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 pt -120.0 170.01 10.31 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 CA-C-O 120.989 0.423 . . . . 0.0 110.788 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -68.15 128.61 37.17 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.437 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -82.54 121.17 26.44 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.4 mtt180 -88.93 174.31 8.0 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -78.22 -19.69 53.3 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.16 10.89 27.51 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.475 0.655 . . . . 0.0 111.065 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -70.21 107.4 3.69 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.438 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 4.2 mppt? -116.34 137.68 51.95 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.78 129.17 31.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 123.275 0.36 . . . . 0.0 110.232 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.0 -15.18 44.28 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.91 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 10.9 pt20 -93.85 147.33 23.17 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.959 -0.696 . . . . 0.0 111.798 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -88.1 118.03 27.39 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.26 153.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -104.68 116.15 31.54 Favored 'General case' 0 N--CA 1.412 -2.365 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 27.0 p90 -121.11 169.69 10.28 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.31 171.06 7.52 Favored 'General case' 0 C--N 1.272 -2.79 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.409 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.38 -14.03 62.39 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.915 0.864 . . . . 0.0 109.16 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -77.89 -13.34 59.92 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.848 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -9.24 36.75 Favored 'General case' 0 CA--C 1.495 -1.167 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.5 mt -78.17 126.61 38.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.886 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.453 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.591 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.211 -176.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 43.4 m-80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 121.29 0.567 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -115.96 159.07 22.1 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.28 137.12 48.44 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -155.72 155.47 26.3 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.216 176.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 27.3 mt -97.9 125.35 51.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.0 mm -63.53 105.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.08 -36.54 15.7 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.038 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -163.86 163.36 23.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -122.32 135.08 63.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 74.79 1.44 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.69 -101.08 0.81 Allowed Glycine 0 C--O 1.242 0.613 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.3 mmt -102.63 5.93 39.4 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.194 0.521 . . . . 0.0 109.806 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -112.83 156.02 23.63 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.25 142.14 45.9 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.02 122.61 48.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.04 128.72 73.24 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.072 0.463 . . . . 0.0 111.694 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.5 tp -88.52 102.16 14.65 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.495 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 29.7 p -72.13 174.55 7.0 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -65.33 -18.77 65.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.449 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -84.91 -10.14 57.4 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.665 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.24 15.68 78.03 Favored Glycine 0 C--O 1.22 -0.774 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.546 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -103.62 138.73 39.88 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -89.0 112.92 23.96 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.72 148.52 32.12 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.697 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.53 119.22 45.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 46' ' ' ILE . 45.7 pt -123.1 167.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.323 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -71.34 127.94 34.24 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.372 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -86.34 130.21 34.59 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.063 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.516 ' NH2' ' HA ' ' A' ' 41' ' ' PHE . 52.2 mtt180 -101.37 -175.02 2.74 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.36 -28.62 64.19 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.303 1.049 . . . . 0.0 109.227 178.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.96 8.24 18.35 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.463 -172.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.09 107.45 18.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 122.196 -0.315 . . . . 0.0 111.783 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.9 mttm -113.55 132.31 55.76 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.76 127.07 29.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.62 -27.47 8.36 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.538 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.7 pt20 -93.6 151.46 19.67 Favored 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.928 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 46.0 tt0 -86.95 123.67 32.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 174.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.92 159.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -99.58 121.55 41.36 Favored 'General case' 0 N--CA 1.411 -2.401 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 44.6 p90 -121.06 157.99 28.82 Favored 'General case' 0 CA--C 1.466 -2.272 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' ASN . 3.4 mm-40 -94.26 173.52 7.6 Favored 'General case' 0 C--N 1.248 -3.813 0 CA-C-O 121.455 0.645 . . . . 0.0 110.513 -178.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -24.84 59.54 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.8 -5.04 49.46 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.935 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -96.12 -26.56 15.44 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.999 0.428 . . . . 0.0 109.904 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.412 ' HA ' HG22 ' A' ' 27' ' ' ILE . 16.5 mt -65.4 136.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.055 0.542 . . . . 0.0 112.318 -172.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-O 122.051 0.929 . . . . 0.0 108.751 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 42' ' ' GLU . 12.4 m120 . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 121.647 0.737 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.487 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 10.5 tpt180 -140.09 157.18 46.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.3 mt -118.97 136.52 54.05 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -159.5 156.11 27.24 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.528 176.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 49.1 mt -95.16 131.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 C-N-CA 123.455 0.702 . . . . 0.0 109.793 -177.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.38 104.74 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -89.33 -32.42 17.34 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.343 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.84 162.5 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.03 140.39 48.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.4 77.08 1.75 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 174.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.17 -100.78 0.6 Allowed Glycine 0 C--N 1.31 -0.911 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.861 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -105.65 15.77 26.4 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.097 0.475 . . . . 0.0 110.838 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.0 155.92 29.45 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.26 144.13 44.64 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.1 t -98.76 121.88 49.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 13.3 m -114.09 128.43 71.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.126 0.489 . . . . 0.0 110.987 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.4 tp -90.69 103.1 15.84 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.435 ' HB ' ' OE2' ' A' ' 21' ' ' GLU . 60.3 p -68.3 172.61 5.68 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.036 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -63.84 -21.04 66.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.646 0.736 . . . . 0.0 110.525 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE2' ' HB ' ' A' ' 19' ' ' THR . 1.7 mp0 -82.84 -8.57 59.57 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.351 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.18 28.89 47.72 Favored Glycine 0 N--CA 1.435 -1.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -112.23 146.16 38.65 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -96.58 112.63 24.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.701 0.762 . . . . 0.0 109.675 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.8 146.29 36.65 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.92 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.7 mm -103.56 121.61 55.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' A' ' 46' ' ' ILE . 27.6 pt -123.16 168.7 15.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -176.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 73.9 mtm180 -67.98 125.68 27.08 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.879 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -85.02 126.9 33.93 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.168 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 73.0 mtt85 -94.81 166.14 12.13 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.48 -22.49 66.75 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -91.95 3.91 54.16 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -76.28 107.48 8.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.581 0.229 . . . . 0.0 110.423 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 46.8 mtpt -113.59 145.81 40.68 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.47 136.22 26.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 C-N-CA 122.874 0.47 . . . . 0.0 111.177 -174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.01 -24.67 28.69 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.117 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 6.8 pt20 -94.18 154.93 17.32 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 122.681 -0.306 . . . . 0.0 111.767 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.7 tt0 -86.87 132.9 33.69 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.75 151.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 120.899 0.38 . . . . 0.0 110.164 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -99.84 115.68 30.16 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 37.7 p90 -128.97 173.9 10.0 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 2' ' ' ASN . 3.2 mm-40 -107.2 170.77 7.76 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 121.292 0.568 . . . . 0.0 110.953 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.39 -25.21 61.41 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.647 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.78 -12.96 60.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.428 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -93.62 -14.48 26.42 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 122.135 -0.353 . . . . 0.0 110.792 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.436 ' HA ' HG22 ' A' ' 27' ' ' ILE . 8.9 mt -78.78 127.16 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 120.956 0.408 . . . . 0.0 110.159 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.401 ' CE1' ' HG2' ' A' ' 28' ' ' ARG . 4.6 m-85 . . . . . 0 C--N 1.295 -1.787 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 . . . . . 0 CA--C 1.51 -0.574 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 5.9 tpt180 -130.87 159.06 38.48 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.72 129.25 54.42 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 123.374 0.421 . . . . 0.0 109.981 -177.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.537 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.29 156.83 26.92 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 120.003 -1.094 . . . . 0.0 112.266 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 60.7 mt -94.11 128.59 45.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mm -63.58 104.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -86.49 -36.11 19.21 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.72 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -162.98 160.19 24.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -118.81 138.99 47.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 C-N-CA 123.3 0.64 . . . . 0.0 109.487 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.447 HE22 HG23 ' A' ' 16' ' ' VAL . 1.4 mp0 -125.0 76.81 1.56 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.66 -101.27 0.56 Allowed Glycine 0 C--O 1.248 0.98 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.699 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mmt -103.13 6.52 38.52 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.926 0.393 . . . . 0.0 111.21 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 89.4 mttt -109.51 158.34 18.09 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.7 145.6 44.91 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.447 HG23 HE22 ' A' ' 11' ' ' GLN . 91.8 t -97.87 120.78 47.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 175.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.01 129.54 67.29 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 tp -95.45 103.45 15.32 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 66.8 p -66.32 171.07 5.14 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.976 0.417 . . . . 0.0 112.038 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -64.85 -16.51 63.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.621 0.724 . . . . 0.0 109.963 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.78 -10.38 51.17 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.213 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.39 36.69 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.411 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -106.6 144.18 33.64 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -101.57 113.18 26.09 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -116.9 147.33 42.3 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.28 127.2 51.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 pt -129.24 168.38 22.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-O 120.893 0.378 . . . . 0.0 110.976 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.487 ' HD2' ' OD1' ' A' ' 45' ' ' ASP . 65.1 mtt180 -64.94 126.06 26.83 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -85.09 130.35 34.63 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.47 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 94.4 mtt180 -98.31 168.07 10.45 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.82 -12.46 61.64 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -98.44 3.15 48.32 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.294 0.569 . . . . 0.0 111.2 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -78.79 116.08 18.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mppt? -117.33 150.14 39.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.07 132.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 C-N-CA 122.667 0.387 . . . . 0.0 110.566 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.63 -21.02 35.56 Favored Glycine 0 C--N 1.314 -0.642 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.716 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.3 pt20 -93.25 146.5 23.65 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 120.269 -0.573 . . . . 0.0 111.876 -177.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 33.6 tt0 -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.09 162.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 122.662 0.385 . . . . 0.0 109.985 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p -107.88 127.12 53.45 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 29.2 p90 -131.81 168.76 17.25 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -109.86 166.93 10.54 Favored 'General case' 0 C--N 1.288 -2.087 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.133 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -60.15 -30.16 69.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.733 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.13 -26.06 61.97 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.165 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.487 ' OD1' ' HD2' ' A' ' 28' ' ' ARG . 39.3 m-20 -78.72 -15.87 57.93 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.9 mt -74.82 114.06 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-O 121.701 0.763 . . . . 0.0 111.499 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.307 -1.272 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.923 -178.539 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 CA--C 1.503 -0.852 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.524 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 1.2 tpt180 -121.47 148.05 44.96 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -112.67 131.47 55.63 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -156.59 156.12 26.89 Favored Glycine 0 N--CA 1.425 -2.054 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.768 177.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.3 mt -96.21 130.66 44.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.428 HD13 HG12 ' A' ' 17' ' ' VAL . 39.9 mm -66.67 103.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -83.92 -39.37 19.89 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.264 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -162.12 163.85 28.33 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mm -119.62 138.01 51.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.82 73.88 1.04 Allowed 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.72 -101.49 0.41 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.443 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 mmt -98.61 7.49 46.06 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.439 0.638 . . . . 0.0 110.511 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -120.17 156.32 31.34 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.29 144.82 51.56 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.97 113.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 7.6 m -107.87 131.22 58.75 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.083 0.468 . . . . 0.0 111.431 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -93.14 102.27 14.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.1 p -70.32 170.57 11.53 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.366 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -64.22 -14.92 58.62 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.487 0.661 . . . . 0.0 110.939 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.55 -13.02 55.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.282 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.56 25.53 38.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.654 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -111.18 148.5 32.63 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -102.28 112.72 25.52 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.69 154.8 25.56 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.903 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -103.39 118.46 50.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 46' ' ' ILE . 24.4 pt -122.42 166.29 17.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-O 120.659 0.266 . . . . 0.0 110.607 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 98.5 mtt180 -65.64 126.07 27.23 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -85.33 122.68 29.84 Favored 'General case' 0 N--CA 1.419 -1.998 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.614 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -94.34 164.72 12.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -71.94 -8.41 54.31 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.221 0.534 . . . . 0.0 111.789 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -79.62 -18.84 50.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.379 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.89 112.25 6.93 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.776 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -113.58 138.52 50.05 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.77 127.9 26.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.077 0.465 . . . . 0.0 111.459 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.08 -17.45 44.51 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 114.239 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -93.72 148.21 22.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.873 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 61.8 tt0 -82.83 120.18 25.32 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -111.33 153.91 13.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.586 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -106.56 115.4 30.14 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.6 p90 -128.84 171.48 12.23 Favored 'General case' 0 CA--C 1.47 -2.108 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -178.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -101.02 166.38 10.84 Favored 'General case' 0 C--N 1.273 -2.753 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.76 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.83 -14.15 61.89 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.759 0.79 . . . . 0.0 110.255 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -70.96 -30.61 66.93 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.719 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 3.4 m-20 -73.41 -22.56 60.2 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.673 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.414 ' HA ' HG22 ' A' ' 27' ' ' ILE . 62.4 mt -70.31 115.78 10.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 CA-C-O 121.875 0.845 . . . . 0.0 111.444 -176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 2.9 m-85 . . . . . 0 CA--C 1.502 -0.894 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.415 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.0 m120 . . . . . 0 N--CA 1.444 -0.735 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -118.28 159.29 23.63 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.48 132.46 55.22 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 117.863 0.301 . . . . 0.0 110.839 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.96 157.21 28.26 Favored Glycine 0 CA--C 1.483 -1.967 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.976 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 43.7 mt -98.04 131.55 44.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 46.8 mm -68.11 111.41 2.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.537 0.684 . . . . 0.0 109.798 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -86.28 -38.72 17.25 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 114.098 -1.41 . . . . 0.0 109.567 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -159.29 162.84 36.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.458 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.422 HG12 HG22 ' A' ' 35' ' ' VAL . 13.3 mm -126.9 132.91 69.53 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -135.85 85.64 2.17 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 -118.09 9.05 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.7 11.75 32.29 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 120.998 0.428 . . . . 0.0 110.882 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -116.27 159.42 21.89 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.48 152.82 47.3 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.193 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.03 121.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 2.8 m -109.83 130.58 62.73 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.38 102.37 14.17 Favored 'General case' 0 N--CA 1.414 -2.241 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 170.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.492 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.9 p -70.11 173.57 6.44 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.086 0.47 . . . . 0.0 112.109 -173.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -64.44 -16.07 61.75 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.514 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -86.1 -8.02 58.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.446 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.72 30.65 38.77 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.647 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -114.96 145.91 41.74 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 m-85 -101.24 113.53 26.67 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 mp -114.63 144.1 43.96 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.067 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -90.73 117.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HG12 ' A' ' 46' ' ' ILE . 14.2 pt -125.47 170.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -83.36 131.67 35.04 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.418 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.721 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 32.4 ttt180 -73.69 134.99 43.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.641 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.18 175.26 5.79 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.55 -33.5 72.86 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -173.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 20.1 t70 -87.78 -10.02 52.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.595 0.712 . . . . 0.0 110.479 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.721 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 34.6 ttm -67.23 106.56 2.07 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.97 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 28.4 mttp -116.75 155.37 29.02 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 40.8 t -69.92 140.16 19.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.302 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.68 -25.33 27.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.24 -0.505 . . . . 0.0 114.124 174.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -94.04 154.26 17.73 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.043 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 26.8 tt0 -88.46 130.08 35.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -120.36 153.73 23.45 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 m -98.61 115.86 29.56 Favored 'General case' 0 N--CA 1.407 -2.603 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.2 p90 -123.82 168.3 12.92 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HB3' ' CD ' ' A' ' 44' ' ' GLU . 1.8 mp0 -106.26 166.53 10.46 Favored 'General case' 0 C--N 1.273 -2.721 0 O-C-N 123.429 0.455 . . . . 0.0 110.673 -177.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.55 -23.12 46.31 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 1.7 mp0 -64.91 -19.55 65.98 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 113.662 -1.608 . . . . 0.0 110.366 173.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -96.06 -12.95 24.11 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.705 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.447 HG12 HG22 ' A' ' 27' ' ' ILE . 57.6 mt -79.14 117.38 24.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.599 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.311 -1.093 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.698 -178.727 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 CA--C 1.512 -0.507 0 CA-C-O 121.345 0.593 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -130.75 158.61 39.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 178.702 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.29 143.69 47.21 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -166.04 156.2 27.95 Favored Glycine 0 N--CA 1.426 -1.971 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.974 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 47.0 mt -95.82 129.93 45.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 34.1 mm -67.4 104.98 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.565 0.697 . . . . 0.0 109.444 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -87.63 -35.5 18.01 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.832 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -162.53 165.06 26.56 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -130.89 139.47 51.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 123.818 0.847 . . . . 0.0 109.181 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -136.96 82.87 1.96 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.31 -121.19 8.85 Favored Glycine 0 N--CA 1.424 -2.145 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 83.1 mtp -100.05 26.13 6.73 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.492 0.663 . . . . 0.0 110.32 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -118.76 148.03 43.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.8 146.56 50.88 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.327 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -99.64 113.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.5 128.91 60.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.615 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -92.01 102.18 14.74 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 104.718 -2.326 . . . . 0.0 104.718 171.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 71.2 p -67.59 174.86 3.18 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -172.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -69.46 -6.68 31.97 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.189 0.995 . . . . 0.0 110.999 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -96.79 -6.83 35.21 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.187 176.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.94 59.66 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.533 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -111.01 145.05 39.15 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.845 0.323 . . . . 0.0 110.13 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -93.88 118.68 31.79 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mp -122.1 145.43 48.18 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.116 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 mm -93.78 120.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.452 HG22 ' HA ' ' A' ' 46' ' ' ILE . 36.1 pt -127.16 166.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.62 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -64.87 128.55 36.25 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.82 118.35 28.46 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.38 -179.05 5.11 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -78.55 -10.98 59.93 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.467 0.651 . . . . 0.0 110.294 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.8 -9.16 59.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.57 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -89.66 106.66 18.61 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 121.223 0.535 . . . . 0.0 111.444 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -114.29 143.44 44.86 Favored 'General case' 0 N--CA 1.422 -1.872 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.438 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 3.1 t -68.21 133.98 30.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 CA-C-O 121.255 0.55 . . . . 0.0 111.342 -175.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.23 -25.2 28.58 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.577 -0.738 . . . . 0.0 114.107 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -93.92 158.99 15.38 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.692 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.9 tt0 -89.57 128.7 36.06 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.56 161.52 23.6 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -111.73 132.21 54.79 Favored 'General case' 0 N--CA 1.401 -2.906 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.2 p90 -132.62 173.39 11.39 Favored 'General case' 0 C--N 1.267 -3.0 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.6 166.79 10.53 Favored 'General case' 0 C--N 1.266 -3.028 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 5.6 m-80 -72.41 -23.67 61.12 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 122.286 1.041 . . . . 0.0 109.137 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -67.34 -25.59 66.07 Favored 'General case' 0 N--CA 1.409 -2.515 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.429 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.69 -14.4 45.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' HA ' HG22 ' A' ' 27' ' ' ILE . 58.3 mt -74.57 128.96 36.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-O 121.33 0.586 . . . . 0.0 109.994 -177.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.304 -1.392 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.306 177.655 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 70.0 m-20 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 121.09 0.471 . . . . 0.0 111.619 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -130.06 157.77 41.48 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -116.5 122.66 45.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 117.78 0.264 . . . . 0.0 110.658 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.19 156.45 26.81 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.903 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 65.9 mt -95.59 130.38 44.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 29.8 mm -68.77 102.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-O 121.81 0.815 . . . . 0.0 109.498 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.0 -41.89 22.03 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 113.973 -1.467 . . . . 0.0 109.075 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -160.8 147.39 15.19 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.479 HD12 ' HG3' ' A' ' 29' ' ' ARG . 26.9 mm -111.94 133.43 57.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.516 HE22 HG23 ' A' ' 16' ' ' VAL . 1.9 mp0 -120.82 75.03 1.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.76 -100.84 0.95 Allowed Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.044 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.3 mtp -109.0 11.04 26.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.641 0.257 . . . . 0.0 111.299 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -112.21 155.99 23.08 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.4 41.48 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.637 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.516 HG23 HE22 ' A' ' 11' ' ' GLN . 85.8 t -100.12 113.67 36.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 7' ' ' ILE . 2.1 m -107.17 127.56 62.81 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 121.125 0.488 . . . . 0.0 110.992 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -94.38 106.28 18.25 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 174.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 37.6 p -65.38 164.7 13.19 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.023 0.439 . . . . 0.0 112.138 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -60.9 -17.55 51.35 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.925 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -91.85 -20.04 21.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.168 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.28 34.07 3.5 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 119.888 -1.149 . . . . 0.0 113.941 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.15 147.29 35.23 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -103.93 116.73 32.8 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -116.92 143.75 45.34 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.7 mm -95.74 120.65 45.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' HA ' ' A' ' 46' ' ' ILE . 40.8 pt -124.31 170.89 13.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 34.7 mtm180 -74.6 128.43 35.53 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.561 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 9.7 ttt180 -78.71 125.68 29.7 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -85.36 163.15 18.72 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -72.65 -14.32 61.56 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -110.5 9.57 23.21 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 122.025 0.917 . . . . 0.0 109.985 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 36.5 ttm -78.93 118.05 20.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.97 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -113.89 151.64 31.92 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.045 0.538 . . . . 0.0 110.847 -176.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 7.4 t -75.72 142.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.251 0.62 . . . . 0.0 111.259 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.05 15.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.865 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -92.79 157.5 16.38 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.497 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.2 tt0 -89.64 119.45 30.07 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 176.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -111.72 152.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.07 -175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 m -94.9 116.1 28.29 Favored 'General case' 0 N--CA 1.404 -2.737 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 172.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.5 p90 -120.44 172.99 7.43 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -108.67 166.17 11.0 Favored 'General case' 0 C--N 1.275 -2.634 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.185 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -74.88 -24.12 58.5 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.11 -18.71 64.01 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-N 113.823 -1.535 . . . . 0.0 111.064 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 29.7 m-20 -86.1 -17.07 36.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 122.086 -0.384 . . . . 0.0 110.739 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.42 ' HA ' HG22 ' A' ' 27' ' ' ILE . 62.9 mt -68.8 126.01 27.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.225 0.536 . . . . 0.0 110.986 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.562 0.696 . . . . 0.0 111.482 -177.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 51.7 m-20 . . . . . 0 CA--C 1.505 -0.787 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.593 ' NH1' ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -113.33 156.1 23.98 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 172.684 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -117.41 131.99 56.66 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 -175.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.82 156.26 26.61 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.236 -0.983 . . . . 0.0 111.766 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.7 mt -95.51 131.09 43.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 30.4 mm -65.03 106.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -90.16 -33.93 16.04 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.655 -176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -163.98 166.27 21.73 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.29 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 mm -125.27 135.35 64.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 C-N-CA 123.295 0.638 . . . . 0.0 109.32 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.55 74.13 1.1 Allowed 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.13 -101.28 0.47 Allowed Glycine 0 C--O 1.244 0.755 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.309 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -98.1 4.07 49.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.338 0.589 . . . . 0.0 110.756 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -114.86 155.21 27.23 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.17 144.73 50.87 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.19 117.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m -109.86 130.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.209 0 CA-C-O 120.926 0.393 . . . . 0.0 110.784 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -94.22 104.08 16.1 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 172.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.51 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 42.9 p -67.62 171.91 5.77 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.667 -173.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -66.64 -14.53 62.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.616 0.722 . . . . 0.0 110.349 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -89.52 -10.02 47.77 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.859 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 26.2 43.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.157 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -111.71 140.98 45.88 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.26 148.68 32.35 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.301 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.8 mm -102.79 117.83 48.78 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.2 pt -124.82 167.05 19.42 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.182 0 CA-C-O 120.78 0.324 . . . . 0.0 111.175 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 62.1 mtm180 -64.8 124.68 22.61 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.519 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -86.01 130.37 34.56 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.426 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -103.48 163.3 12.37 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.13 -18.68 64.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HD3' ' A' ' 34' ' ' LYS . 15.9 t70 -80.45 -15.72 56.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.711 0.291 . . . . 0.0 111.365 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.55 107.89 2.66 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 3.1 mppt? -113.41 149.1 34.63 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.407 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 t -71.12 134.57 29.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.89 -22.86 29.06 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.953 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -93.21 152.42 19.22 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.551 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 32.2 tt0 -89.23 124.52 34.45 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.31 148.6 18.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 120.967 0.413 . . . . 0.0 111.226 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -94.37 118.28 31.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 35.9 p90 -125.78 166.22 17.22 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.4 170.35 7.94 Favored 'General case' 0 C--N 1.272 -2.776 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -68.01 -27.53 66.63 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.31 -23.78 67.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.918 176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 15.3 m-20 -79.65 -22.54 43.43 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.281 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.48 115.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 CA-C-O 121.512 0.672 . . . . 0.0 111.224 -175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 . . . . . 0 C--N 1.309 -1.192 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.937 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 CA--C 1.504 -0.789 0 CA-C-O 120.77 0.319 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -120.53 153.56 36.54 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -113.94 134.85 54.56 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -155.01 155.98 26.6 Favored Glycine 0 N--CA 1.428 -1.862 0 C-N-CA 120.325 -0.941 . . . . 0.0 111.31 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 52.3 mt -95.1 130.89 43.26 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.22 104.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -84.73 -37.34 21.01 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.542 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -164.01 164.74 22.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mm -120.63 139.12 48.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 C-N-CA 122.85 0.46 . . . . 0.0 109.934 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.41 74.56 1.06 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 -102.99 0.81 Allowed Glycine 0 C--N 1.312 -0.75 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.4 mtp -106.32 18.24 22.28 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.599 0.714 . . . . 0.0 110.529 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -118.74 158.42 25.59 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.17 144.65 45.11 Favored 'General case' 0 C--N 1.288 -2.095 0 CA-C-O 120.563 0.22 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.36 114.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -108.43 125.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 55.5 tp -89.54 102.28 14.96 Favored 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.459 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.6 p -66.53 167.86 10.13 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.664 -174.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -68.86 -5.03 18.62 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.48 0.657 . . . . 0.0 110.318 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.52 -11.22 30.0 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.41 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.89 27.64 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.291 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 30.7 mt-10 -115.81 154.57 29.42 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.49 113.07 26.43 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.28 144.42 43.76 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.791 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -93.89 122.24 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.413 HG22 ' HA ' ' A' ' 46' ' ' ILE . 15.6 pt -126.4 171.43 15.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 132.85 48.02 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 174.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -86.27 122.15 29.86 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 119.244 -0.982 . . . . 0.0 108.957 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.678 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 72.2 mtt180 -88.95 172.79 8.88 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -73.32 -9.28 58.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -168.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -115.89 8.4 14.72 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.605 0.717 . . . . 0.0 112.0 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.678 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -70.64 108.71 4.51 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.378 -179.499 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -113.82 144.14 43.5 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 108.561 -0.904 . . . . 0.0 108.561 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.8 123.71 21.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-O 121.027 0.441 . . . . 0.0 111.378 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.21 -23.62 10.47 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.248 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -93.31 156.97 16.48 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.784 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 52.4 tt0 -91.47 118.77 30.85 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.51 149.34 13.45 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.176 0.512 . . . . 0.0 111.264 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 p -96.46 116.25 28.75 Favored 'General case' 0 N--CA 1.415 -2.198 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.507 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -125.04 170.68 10.92 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -103.12 163.86 11.97 Favored 'General case' 0 C--N 1.273 -2.745 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.37 -14.78 61.81 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.287 0.565 . . . . 0.0 110.159 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.65 -29.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.092 174.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.39 -13.67 59.88 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.414 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HA ' HG22 ' A' ' 27' ' ' ILE . 83.4 mt -68.11 118.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 121.4 0.619 . . . . 0.0 110.574 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.303 -177.153 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.552 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.588 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.7 tpt180 -143.39 155.69 44.48 Favored 'General case' 0 C--N 1.29 -2.011 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -111.18 130.31 55.68 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.497 0.498 . . . . 0.0 110.338 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.61 155.76 26.42 Favored Glycine 0 N--CA 1.428 -1.844 0 C-N-CA 119.966 -1.112 . . . . 0.0 111.806 177.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 40.2 mt -95.11 128.15 46.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.7 101.03 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -85.76 -34.93 21.05 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.837 -176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.69 159.82 30.74 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -121.43 134.27 65.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.32 73.5 1.05 Allowed 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.04 -100.66 0.35 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.731 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 mmt -95.74 1.69 53.51 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.34 0.656 . . . . 0.0 110.609 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -112.07 157.13 21.15 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.94 140.68 44.19 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.7 119.54 43.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 m -109.68 129.24 64.9 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-O 121.234 0.54 . . . . 0.0 110.946 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -93.82 102.82 14.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.505 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 40.5 p -68.22 168.99 11.2 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.4 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -68.86 -8.88 47.94 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.466 0.651 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' CD ' HH21 ' A' ' 3' ' ' ARG . 25.9 mt-10 -88.2 -15.52 35.76 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.969 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.74 22.18 31.75 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.532 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -110.03 145.65 36.67 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -98.71 116.15 30.3 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.27 148.08 41.98 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 mm -98.37 124.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' HA ' ' A' ' 46' ' ' ILE . 30.9 pt -125.86 169.13 17.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -69.75 128.16 35.47 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -87.64 124.85 33.97 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 81.2 mtt180 -92.69 169.75 10.25 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -77.07 -7.2 55.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.654 0.74 . . . . 0.0 110.631 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.88 -6.95 53.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.472 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.42 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -73.98 121.14 20.55 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.388 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.1 mttm -120.22 139.92 51.95 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 175.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -69.21 133.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.22 -23.71 32.49 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.39 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.2 pt20 -93.21 148.69 21.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 118.095 0.947 . . . . 0.0 112.367 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.1 tt0 -83.22 121.51 27.19 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -116.23 161.57 14.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.255 -175.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 120.4 41.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 28.9 p90 -122.17 173.91 7.29 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -107.65 168.82 8.99 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-O 120.996 0.426 . . . . 0.0 110.049 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.2 -24.18 59.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.557 0.694 . . . . 0.0 110.709 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.31 -10.9 59.87 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.484 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -90.36 -21.44 21.98 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.456 ' HA ' HG22 ' A' ' 27' ' ' ILE . 50.9 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.64 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.318 -0.788 0 CA-C-O 122.022 0.915 . . . . 0.0 110.645 -178.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.8 m120 . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 121.157 0.503 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 12.3 tpt180 -146.84 151.02 36.41 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 174.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.91 125.71 53.95 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 123.142 0.276 . . . . 0.0 110.657 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.96 156.18 26.56 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 119.63 -1.271 . . . . 0.0 111.805 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.2 mt -95.16 130.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.42 HD13 HG12 ' A' ' 17' ' ' VAL . 30.9 mm -67.98 104.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.34 -35.55 27.76 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.536 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -164.39 158.77 18.93 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.431 HG12 HG22 ' A' ' 35' ' ' VAL . 25.0 mm -114.33 143.58 23.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.58 76.49 1.71 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.76 -109.67 3.01 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.4 mtp -106.07 16.4 25.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.704 0.764 . . . . 0.0 110.083 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -111.54 159.34 18.21 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.58 143.22 47.24 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -99.39 113.08 33.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 3.5 m -104.54 134.51 45.69 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.037 0 CA-C-O 121.065 0.46 . . . . 0.0 111.034 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.03 102.6 14.4 Favored 'General case' 0 N--CA 1.407 -2.59 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 64.5 p -69.86 167.42 17.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.656 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -58.62 -24.68 61.56 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.259 0.552 . . . . 0.0 111.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.95 -19.82 60.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.89 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.09 24.17 15.53 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -106.16 144.79 32.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 42.5 m-85 -101.98 113.31 26.43 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mp -112.6 146.28 38.87 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.451 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.89 120.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' A' ' 46' ' ' ILE . 26.2 pt -125.92 163.99 26.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.5 131.47 46.11 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -89.51 125.62 35.26 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -99.9 175.25 5.84 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -67.24 -22.96 65.66 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.91 7.51 36.92 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -88.95 114.17 25.28 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 57.7 mtpt -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG22 HG12 ' A' ' 10' ' ' ILE . 24.4 t -65.26 131.49 31.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-O 120.867 0.365 . . . . 0.0 111.048 -177.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.67 -27.19 18.79 Favored Glycine 0 N--CA 1.432 -1.618 0 C-N-CA 121.226 -0.512 . . . . 0.0 113.828 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.6 pt20 -93.7 158.04 15.87 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.429 0.615 . . . . 0.0 112.003 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 60.3 tt0 -93.77 121.66 35.45 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.5 m -115.39 156.34 16.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.987 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.007 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -102.44 116.11 31.95 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 26.5 p90 -120.26 173.84 6.88 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -109.2 167.97 9.72 Favored 'General case' 0 C--N 1.274 -2.697 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.512 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.04 -22.06 64.98 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.748 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -75.69 -15.36 60.31 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.58 177.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -89.49 -19.45 25.06 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' A' ' 27' ' ' ILE . 14.8 mt -76.09 121.1 27.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-O 121.071 0.462 . . . . 0.0 111.399 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.32 -0.694 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.09 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 22.3 m120 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 121.257 0.551 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.521 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -117.42 152.42 35.02 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.18 130.74 57.0 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.2 155.97 26.53 Favored Glycine 0 CA--C 1.481 -2.091 0 C-N-CA 119.88 -1.152 . . . . 0.0 111.83 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 56.3 mt -94.67 127.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.471 HD11 ' HG3' ' A' ' 33' ' ' MET . 34.8 mm -65.32 106.56 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -83.17 -40.3 19.9 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.118 -1.401 . . . . 0.0 109.55 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -165.61 160.33 17.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.02 139.51 39.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 74.72 1.34 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.05 -104.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.4 mmt -103.75 8.73 37.26 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.149 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 50.7 mtmt -110.27 159.06 17.74 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.46 141.43 45.36 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -96.22 114.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.505 HG23 ' HB2' ' A' ' 25' ' ' LEU . 4.2 m -106.91 131.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.828 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.51 102.27 14.03 Favored 'General case' 0 N--CA 1.409 -2.498 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.444 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 28.6 p -65.91 168.12 8.57 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.476 -174.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 p -65.23 -13.95 59.53 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.532 0.682 . . . . 0.0 110.923 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -86.26 -9.07 57.19 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.185 0.994 . . . . 0.0 110.782 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.26 23.65 43.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.835 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -111.87 144.66 40.83 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -97.63 113.04 24.69 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.9 mp -109.93 146.38 35.28 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -98.15 120.44 47.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 46' ' ' ILE . 32.3 pt -124.83 171.1 14.12 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-O 120.806 0.336 . . . . 0.0 110.462 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -76.48 132.85 39.83 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -89.87 126.17 35.61 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -73.97 -11.25 60.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 110.371 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.68 -12.8 59.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.948 0.899 . . . . 0.0 110.958 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.471 ' HG3' HD11 ' A' ' 7' ' ' ILE . 1.9 mpt? -95.49 113.02 24.63 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 120.986 0.422 . . . . 0.0 112.022 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 62.5 mtpt -132.66 144.64 50.47 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.41 128.73 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.998 -173.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 -28.79 9.5 Favored Glycine 0 N--CA 1.435 -1.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.979 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.9 pt20 -93.45 156.79 16.55 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.866 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.6 tt0 -88.82 126.57 35.42 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -114.84 162.4 12.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.79 122.37 47.47 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 27.4 p90 -136.35 169.18 18.09 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.88 175.94 5.32 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -28.22 63.84 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.855 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -70.57 -18.01 62.91 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.223 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.73 -20.51 39.21 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' HA ' HG22 ' A' ' 27' ' ' ILE . 22.1 mt -74.03 129.36 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.735 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.296 -1.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.941 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 12.3 m120 . . . . . 0 CA--C 1.496 -1.099 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.0 tpt180 -115.52 154.37 29.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.5 mt -109.97 133.6 53.01 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.27 156.11 26.63 Favored Glycine 0 CA--C 1.483 -1.929 0 C-N-CA 120.212 -0.994 . . . . 0.0 111.983 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.3 mt -97.24 128.82 48.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.459 HD13 HG12 ' A' ' 17' ' ' VAL . 30.2 mm -65.32 105.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -89.03 -35.22 16.49 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.488 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -164.51 168.04 18.76 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -174.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.426 HG21 ' NH1' ' A' ' 29' ' ' ARG . 26.2 mm -124.56 141.25 45.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -129.93 74.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 123.171 0.588 . . . . 0.0 109.795 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.55 -111.26 3.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 7.7 mmt -98.13 10.76 39.72 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.644 0.735 . . . . 0.0 110.567 178.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 91.5 mttt -114.82 159.08 21.04 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.25 149.51 50.96 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.5 115.4 44.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 HD13 ' A' ' 7' ' ' ILE . 6.6 m -108.93 128.52 64.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.086 0.47 . . . . 0.0 111.424 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 tp -91.24 102.08 14.8 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.522 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 20.7 p -66.37 166.7 11.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.28 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -69.59 -5.41 24.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.827 0.822 . . . . 0.0 110.195 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.82 -1.48 40.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.3 20.47 62.41 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.29 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -115.59 145.57 42.55 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 117.891 0.846 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -92.99 113.03 25.2 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.12 141.17 44.97 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-O 120.864 0.364 . . . . 0.0 110.245 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -92.75 117.39 36.03 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.89 170.06 16.44 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.934 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -65.89 128.84 37.61 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.624 0.577 . . . . 0.0 109.678 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' NH1' HG21 ' A' ' 10' ' ' ILE . 12.1 ttt180 -84.05 125.53 32.19 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.561 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 3.0 mpt_? -91.96 165.11 13.38 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.9 -31.34 72.38 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -85.88 0.21 53.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.35 107.6 1.39 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.958 0.408 . . . . 0.0 111.785 -179.23 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OE1' ' A' ' 37' ' ' GLN . 35.4 mtmm -113.42 141.66 46.82 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 t -72.89 130.23 35.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 123.368 0.418 . . . . 0.0 110.648 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.88 -23.69 12.79 Favored Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 116.145 -0.479 . . . . 0.0 113.67 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 13.7 pt20 -94.11 153.31 18.19 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 122.313 -0.521 . . . . 0.0 112.297 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.0 tt0 -88.7 126.39 35.29 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 174.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.62 162.54 16.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.918 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -109.66 125.48 52.66 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.6 p90 -132.03 164.67 25.69 Favored 'General case' 0 CA--C 1.483 -1.61 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -103.16 169.29 8.64 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 123.773 0.671 . . . . 0.0 109.863 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.28 -20.89 60.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 120.897 0.379 . . . . 0.0 111.555 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.94 -35.26 80.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.937 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 30' ' ' ARG . 3.6 m-20 -82.46 -7.9 59.63 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.199 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.1 mt -75.78 119.57 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-O 121.507 0.67 . . . . 0.0 110.037 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.524 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 9.3 m-85 . . . . . 0 C--N 1.304 -1.384 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.823 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.0 m120 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 121.019 0.437 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 6.1 tpt180 -119.1 156.27 30.05 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.5 mt -107.96 132.54 53.4 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.79 155.35 26.22 Favored Glycine 0 CA--C 1.477 -2.307 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.789 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 16.0 mt -100.3 130.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.252 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.38 105.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 121.445 0.64 . . . . 0.0 109.557 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -86.3 -37.44 18.54 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.244 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -162.29 158.02 23.65 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.609 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mm -112.87 137.09 47.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 75.06 1.3 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.31 -110.75 3.44 Favored Glycine 0 C--O 1.245 0.81 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.4 mtp -104.26 17.85 23.29 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.437 0.637 . . . . 0.0 110.372 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 57.3 mttp -118.29 162.37 18.38 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.29 146.89 45.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 120.651 0.262 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.72 115.65 39.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -109.73 130.31 63.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 CA-C-O 121.058 0.456 . . . . 0.0 111.762 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 56.3 tp -90.16 102.24 14.96 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 170.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.476 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 36.0 p -74.49 174.45 8.93 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.8 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -65.46 -11.71 45.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.063 0.945 . . . . 0.0 110.125 174.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.86 -10.52 45.01 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.752 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.97 14.77 80.26 Favored Glycine 0 C--O 1.24 0.513 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -104.85 141.71 36.03 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 43.7 m-85 -95.56 113.4 25.04 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.8 mp -109.63 150.6 28.0 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.091 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mm -100.93 113.76 37.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 46' ' ' ILE . 44.5 pt -123.2 170.55 13.33 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.229 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.35 134.12 50.9 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -85.05 129.36 34.81 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.5 mtt180 -101.98 -176.13 3.04 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -74.49 -33.33 62.8 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.899 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -82.4 11.0 6.01 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.725 0.774 . . . . 0.0 112.095 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -76.52 107.43 8.8 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.437 -0.789 . . . . 0.0 110.273 178.461 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HE3' ' NE2' ' A' ' 37' ' ' GLN . 30.4 mtmt -125.7 131.86 52.5 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 t -61.93 120.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 120.916 0.389 . . . . 0.0 110.968 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 -28.09 8.19 Favored Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.716 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -94.42 160.4 14.68 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 51.8 tt0 -95.73 125.92 40.64 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.714 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.18 152.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.475 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m -98.9 115.86 29.82 Favored 'General case' 0 N--CA 1.413 -2.284 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 50.9 p90 -121.1 172.65 7.81 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.45 175.72 5.32 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 121.176 0.512 . . . . 0.0 111.384 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -21.82 60.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.783 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.64 -28.67 62.88 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.914 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -12.62 59.09 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.341 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 27' ' ' ILE . 25.6 mt -75.46 122.8 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 CA-C-O 121.267 0.555 . . . . 0.0 110.127 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.5 m-85 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.488 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.45 ' OD1' ' HG3' ' A' ' 42' ' ' GLU . 59.9 m-20 . . . . . 0 N--CA 1.433 -1.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -139.35 156.48 46.98 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.601 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -122.97 132.05 53.98 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.04 155.65 26.32 Favored Glycine 0 CA--C 1.477 -2.306 0 C-N-CA 119.74 -1.219 . . . . 0.0 111.903 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 59.9 mt -95.1 129.91 44.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.517 HD11 ' HG3' ' A' ' 33' ' ' MET . 41.2 mm -66.74 108.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -88.37 -34.25 17.66 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.507 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -164.58 153.8 13.3 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -118.15 144.98 24.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.53 74.65 1.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 175.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.5 -103.18 0.98 Allowed Glycine 0 N--CA 1.439 -1.127 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 mtp -105.78 16.18 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.252 0.549 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -114.32 153.41 29.82 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.99 140.64 42.3 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.5 t -96.34 113.15 29.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -105.49 128.54 59.44 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.465 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.0 tp -94.11 101.93 13.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 170.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.522 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 33.0 p -63.56 168.29 4.84 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.131 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -66.69 -14.41 62.47 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.502 0.668 . . . . 0.0 110.37 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.42 -1.27 57.63 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.467 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 29.34 51.79 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.974 -0.557 . . . . 0.0 114.052 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -116.01 148.4 40.19 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 117.525 0.662 . . . . 0.0 110.31 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 54.1 m-85 -98.04 118.19 34.09 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -120.83 148.54 43.88 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.661 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.05 116.04 36.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -120.31 164.09 17.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-O 120.954 0.407 . . . . 0.0 110.41 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -73.31 120.68 19.25 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 30.4 ttt180 -73.66 131.31 41.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.989 -177.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 96.5 mtt180 -96.69 178.09 5.44 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 174.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.22 -43.83 97.0 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.06 20.34 1.24 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.54 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -82.98 105.92 14.38 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.256 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -119.28 136.52 54.19 Favored 'General case' 0 N--CA 1.425 -1.72 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.69 124.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 123.255 0.347 . . . . 0.0 110.693 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.83 -29.36 7.21 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.417 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -93.98 155.25 17.24 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.036 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.7 tt0 -87.96 125.6 34.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.2 151.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.945 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.85 127.12 50.16 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 30.8 p90 -140.85 -179.87 6.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HG3' ' OD1' ' A' ' 2' ' ' ASN . 2.2 mp0 -114.73 167.54 10.67 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -64.37 -18.66 64.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.524 0.678 . . . . 0.0 110.73 175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.2 -17.94 58.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.099 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.47 -24.03 34.42 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.1 mt -67.39 139.88 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.715 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.189 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 27.2 m120 . . . . . 0 N--CA 1.443 -0.799 0 CA-C-O 121.639 0.733 . . . . 0.0 111.888 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.8 tpt180 -130.83 156.77 44.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 175.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.69 137.04 47.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.933 0.397 . . . . 0.0 111.166 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.26 155.92 26.91 Favored Glycine 0 N--CA 1.42 -2.394 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.4 mt -99.38 127.67 51.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.426 HD13 ' CG1' ' A' ' 17' ' ' VAL . 36.7 mm -64.76 110.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -91.91 -32.8 15.15 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.274 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -162.7 141.04 8.53 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -110.24 131.64 60.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -135.51 89.74 2.54 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.53 -106.87 1.87 Allowed Glycine 0 N--CA 1.433 -1.555 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.284 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mmt -108.58 12.01 26.28 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.224 0.535 . . . . 0.0 109.922 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 94.2 mttt -114.25 155.46 26.12 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 140.59 45.28 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.202 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.39 119.83 45.95 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -108.75 129.49 63.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-O 120.98 0.419 . . . . 0.0 110.896 178.337 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.5 tp -92.79 102.1 14.49 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 171.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.518 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 44.3 p -71.42 175.17 5.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.565 -172.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -67.82 -8.37 35.53 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.362 0.665 . . . . 0.0 111.188 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -98.17 -0.62 43.91 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.688 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.24 20.35 77.35 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.532 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -101.36 147.18 26.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.06 112.78 24.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.46 147.66 33.61 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.38 120.82 47.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' A' ' 46' ' ' ILE . 42.1 pt -126.84 164.36 27.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -69.62 132.36 46.08 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.154 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.761 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 57.2 ttt180 -78.11 137.76 38.38 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.618 0.723 . . . . 0.0 110.234 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -110.55 173.67 6.22 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -65.81 -41.48 91.84 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.14 0.495 . . . . 0.0 112.152 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -90.55 17.43 7.47 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.063 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.761 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 43.9 ttm -98.65 106.88 19.2 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 2.1 mtpm? -125.62 155.29 40.99 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.16 130.99 35.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 120.581 0.229 . . . . 0.0 110.88 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.15 -27.83 9.8 Favored Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.265 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 13.0 pt20 -93.69 147.08 23.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 44.0 tt0 -86.52 117.08 25.07 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.98 154.83 15.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -95.95 116.14 28.49 Favored 'General case' 0 N--CA 1.417 -2.09 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.9 p90 -120.03 164.34 16.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.32 166.57 11.65 Favored 'General case' 0 C--N 1.261 -3.251 0 CA-C-O 121.284 0.564 . . . . 0.0 110.222 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.39 -20.57 65.56 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.987 0.898 . . . . 0.0 108.836 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.39 -12.39 60.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.85 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.15 -18.6 23.28 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' HA ' HG22 ' A' ' 27' ' ' ILE . 18.5 mt -72.84 123.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 -173.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 2.2 m-85 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.841 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 56.7 m-80 . . . . . 0 C--O 1.236 0.378 0 CA-C-O 121.291 0.567 . . . . 0.0 112.036 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.473 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.1 tpt180 -122.05 156.41 33.6 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -112.47 130.98 55.8 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -153.18 156.33 26.67 Favored Glycine 0 CA--C 1.478 -2.244 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.985 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 39.6 mt -100.67 130.98 49.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' A' ' 33' ' ' MET . 32.6 mm -65.27 107.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-O 121.496 0.665 . . . . 0.0 109.935 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -85.6 -40.22 16.48 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.723 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -162.78 161.09 26.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.435 HG21 ' NH1' ' A' ' 29' ' ' ARG . 28.2 mm -120.29 144.1 30.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.14 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.33 74.43 1.55 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.25 -101.31 0.42 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.063 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 mmt -98.9 4.79 47.49 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.184 0.516 . . . . 0.0 111.197 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -113.79 155.67 25.24 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.8 44.68 Favored 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.77 112.8 33.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 m -108.67 123.82 64.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 CA-C-O 121.21 0.529 . . . . 0.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -89.93 102.82 15.53 Favored 'General case' 0 N--CA 1.419 -2.009 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.546 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.2 p -64.71 162.45 15.86 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.493 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -66.39 -10.33 42.47 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.837 0.827 . . . . 0.0 110.743 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' CD ' HH21 ' A' ' 3' ' ' ARG . 36.4 mt-10 -100.72 0.42 38.9 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.928 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.69 18.22 55.12 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -107.32 140.9 39.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 117.298 0.549 . . . . 0.0 110.309 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -96.2 113.41 25.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -111.28 148.81 32.1 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -103.93 115.25 45.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 46' ' ' ILE . 26.9 pt -124.07 170.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-O 120.842 0.353 . . . . 0.0 111.222 -176.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.455 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 77.3 mtt180 -69.6 128.94 38.26 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 172.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' NH1' HG21 ' A' ' 10' ' ' ILE . 7.9 ttt180 -83.28 120.34 25.72 Favored 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.748 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.7 mtt180 -91.19 173.83 7.72 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -73.52 -8.54 56.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.917 0.389 . . . . 0.0 111.769 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -79.01 -43.67 23.84 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.292 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.4 mpt? -50.52 112.78 0.75 Allowed 'General case' 0 C--O 1.244 0.794 0 C-N-CA 125.622 1.569 . . . . 0.0 114.541 -173.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -119.47 140.83 49.82 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 174.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 17.2 t -64.6 122.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.76 0.314 . . . . 0.0 111.159 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.9 -22.91 22.71 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.783 178.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -93.25 154.2 18.15 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.384 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.3 tt0 -85.26 128.95 34.88 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.37 156.93 23.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 t -104.44 116.25 31.78 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 43.5 p90 -121.1 178.51 4.72 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -116.27 169.91 8.93 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-O 121.219 0.533 . . . . 0.0 111.737 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 2.6 m-80 -78.07 -22.84 48.45 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.459 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -82.65 -3.26 55.99 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.693 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 m-20 -102.29 -10.29 19.64 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 27' ' ' ILE . 72.4 mt -75.12 125.92 35.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.625 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.439 -0.99 0 CA-C-O 120.87 0.366 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.68 95.37 7.19 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 84.0 m-20 -76.84 130.77 38.08 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 121.912 0.863 . . . . 0.0 113.014 -173.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -125.64 152.43 45.19 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.278 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -115.91 129.71 56.52 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.12 156.06 26.58 Favored Glycine 0 CA--C 1.479 -2.188 0 C-N-CA 119.643 -1.265 . . . . 0.0 112.187 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.8 mt -95.04 128.34 46.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.463 HD11 ' HG3' ' A' ' 33' ' ' MET . 43.6 mm -66.57 102.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -86.33 -35.41 19.88 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.047 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -162.32 163.21 28.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -125.77 136.42 60.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.88 73.92 1.24 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 -103.11 0.52 Allowed Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.0 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 mmt -95.35 8.21 43.86 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.066 0.46 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -114.58 155.29 26.79 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 141.86 45.15 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -96.96 117.21 41.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.91 128.26 64.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 CA-C-O 121.02 0.438 . . . . 0.0 111.04 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -94.95 102.39 14.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.565 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 35.3 p -70.88 174.62 5.9 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -172.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -66.98 -15.96 64.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.526 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -87.57 -12.32 46.07 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.366 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.6 28.77 37.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.211 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.76 146.59 34.71 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -100.43 113.83 26.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.05 151.03 34.98 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.55 118.65 48.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 pt -122.68 166.07 17.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.59 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 81.5 mtt180 -64.37 134.82 55.36 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -89.39 123.02 33.16 Favored 'General case' 0 C--N 1.284 -2.25 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.763 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.6 mtt180 -98.64 175.33 6.03 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 174.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -71.26 -13.17 61.81 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.17 0.509 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.73 -16.72 59.42 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.897 0.879 . . . . 0.0 110.851 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.463 ' HG3' HD11 ' A' ' 7' ' ' ILE . 1.2 mpt? -80.57 107.0 13.01 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -173.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -114.3 136.44 52.97 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.03 125.64 23.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 O-C-N 123.134 0.271 . . . . 0.0 110.274 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.72 -28.41 8.54 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.685 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -93.69 151.98 19.28 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 117.778 0.789 . . . . 0.0 112.974 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 64.5 tt0 -86.99 116.3 24.95 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.109 -0.951 . . . . 0.0 108.515 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -110.99 152.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -98.07 116.19 29.79 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 29.1 p90 -123.23 177.26 5.65 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.01 167.26 10.12 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 4.5 m-20 -76.82 -23.84 52.76 Favored 'General case' 0 CA--C 1.491 -1.326 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.67 -22.53 66.53 Favored 'General case' 0 N--CA 1.416 -2.144 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.92 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 5.8 m-20 -86.63 -12.5 48.34 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.453 HG22 ' H ' ' A' ' 49' ' ' VAL . 45.4 mt -79.44 128.01 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-O 121.675 0.75 . . . . 0.0 110.485 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.16 -25.79 39.64 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.757 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' H ' HG22 ' A' ' 46' ' ' ILE . 19.8 m120 -70.23 -60.42 2.29 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.779 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' H ' HG22 ' A' ' 46' ' ' ILE . 14.2 t -94.62 75.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-O 121.742 0.782 . . . . 0.0 108.956 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttm105 -88.88 -44.76 10.23 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.458 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.27 -0.97 16.61 Favored Glycine 0 C--N 1.305 -1.186 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 -172.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 tptp . . . . . 0 N--CA 1.435 -1.177 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 179.146 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 111.293 0.109 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 9.5 ptm -90.88 105.68 17.99 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 121.399 0.618 . . . . 0.0 110.857 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -90.56 130.69 36.57 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.84 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -112.53 152.35 28.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -114.91 125.75 54.01 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.676 0.274 . . . . 0.0 110.267 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.91 156.46 26.76 Favored Glycine 0 CA--C 1.479 -2.167 0 C-N-CA 120.181 -1.009 . . . . 0.0 111.332 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.532 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.9 mt -99.76 130.12 49.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.96 103.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -86.19 -37.88 18.24 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.089 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -159.94 164.74 33.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 mm -120.05 139.96 45.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -127.91 74.59 1.55 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.65 -103.79 0.82 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.506 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 mmt -102.09 11.8 37.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.226 0.536 . . . . 0.0 110.765 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -117.89 159.77 22.54 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.13 142.38 50.23 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -97.74 113.23 31.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.2 128.04 63.97 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 tp -92.23 103.62 16.07 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.455 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 30.1 p -66.29 164.84 15.12 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.236 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -66.86 -4.59 9.69 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.431 0.634 . . . . 0.0 111.704 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.71 -10.46 40.08 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.861 0.864 . . . . 0.0 109.743 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 28.03 27.72 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.627 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -115.64 144.87 43.29 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -96.44 113.27 24.84 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -113.5 153.9 27.94 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.648 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -107.75 117.89 54.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.24 165.91 18.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.38 125.22 23.45 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.96 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -81.15 129.54 34.62 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.314 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -105.45 178.91 4.42 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -74.9 -18.59 60.39 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.6 t70 -87.8 -9.31 54.27 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.095 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.62 106.97 0.73 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.753 1.019 . . . . 0.0 113.753 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 42.6 mttp -115.23 136.68 52.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.05 122.81 20.0 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 120.622 0.249 . . . . 0.0 110.732 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.85 -22.51 11.56 Favored Glycine 0 N--CA 1.434 -1.469 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.977 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.7 pt20 -92.85 151.36 20.03 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.004 -0.679 . . . . 0.0 111.53 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 47.4 tt0 -89.29 126.85 35.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 175.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 m -117.5 146.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.21 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 m -91.02 115.71 28.22 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -124.2 167.2 14.6 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -102.68 158.54 16.17 Favored 'General case' 0 C--N 1.257 -3.434 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.626 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 10.9 m-80 -72.76 -15.54 61.66 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 122.501 1.143 . . . . 0.0 109.139 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.45 -20.55 59.98 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.107 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.36 -6.77 43.48 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 43' ' ' ASN . 89.5 mt -70.14 122.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.02 0.438 . . . . 0.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.82 -14.73 57.8 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.841 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -76.34 77.02 3.1 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 t -77.04 95.05 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-O 121.061 0.458 . . . . 0.0 109.915 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -166.41 -27.33 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.817 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.53 -77.16 0.56 Allowed Glycine 0 CA--C 1.49 -1.51 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 tttm . . . . . 0 C--N 1.293 -1.877 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.579 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 120.893 0.377 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp -86.4 98.35 10.96 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.7 m120 -79.43 143.75 34.71 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 121.673 0.749 . . . . 0.0 112.187 -177.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -131.71 156.54 45.73 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -116.47 130.49 56.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.88 155.98 26.59 Favored Glycine 0 CA--C 1.479 -2.189 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.667 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -95.67 131.76 41.61 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.432 HD13 HG12 ' A' ' 17' ' ' VAL . 44.8 mm -65.43 101.63 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -83.49 -36.87 23.78 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.551 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -162.11 164.25 28.12 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.158 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -123.76 137.34 57.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.5 77.01 1.67 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.1 -104.93 1.05 Allowed Glycine 0 C--N 1.314 -0.669 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.96 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.1 mmt -99.1 5.08 47.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.201 0.524 . . . . 0.0 110.469 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 86.8 mttt -110.22 156.67 20.35 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.38 44.46 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.33 115.22 41.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 7' ' ' ILE . 1.8 m -106.35 129.52 59.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.318 0.58 . . . . 0.0 110.96 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.4 tp -95.38 104.78 16.69 Favored 'General case' 0 N--CA 1.41 -2.454 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.509 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 23.1 p -65.46 161.42 20.02 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -177.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -63.03 -14.8 52.55 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 123.611 0.764 . . . . 0.0 111.436 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -97.63 5.1 49.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.177 0.991 . . . . 0.0 110.516 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.13 32.86 47.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.23 -0.509 . . . . 0.0 114.078 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -115.92 133.47 55.99 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -92.24 121.05 33.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.6 mp -117.84 145.59 44.47 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.58 113.53 35.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 pt -120.0 170.01 10.31 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 CA-C-O 120.989 0.423 . . . . 0.0 110.788 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -68.15 128.61 37.17 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.437 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -82.54 121.17 26.44 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.4 mtt180 -88.93 174.31 8.0 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -78.22 -19.69 53.3 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.16 10.89 27.51 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.475 0.655 . . . . 0.0 111.065 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -70.21 107.4 3.69 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.438 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 4.2 mppt? -116.34 137.68 51.95 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.78 129.17 31.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 123.275 0.36 . . . . 0.0 110.232 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.0 -15.18 44.28 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.91 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 10.9 pt20 -93.85 147.33 23.17 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.959 -0.696 . . . . 0.0 111.798 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -88.1 118.03 27.39 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.26 153.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -104.68 116.15 31.54 Favored 'General case' 0 N--CA 1.412 -2.365 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 27.0 p90 -121.11 169.69 10.28 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.31 171.06 7.52 Favored 'General case' 0 C--N 1.272 -2.79 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.409 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.38 -14.03 62.39 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.915 0.864 . . . . 0.0 109.16 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -77.89 -13.34 59.92 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.848 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -9.24 36.75 Favored 'General case' 0 CA--C 1.495 -1.167 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.5 mt -78.17 126.61 38.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.886 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.453 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -68.9 -29.95 68.34 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.211 -176.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -116.64 110.51 18.6 Favored 'General case' 0 CA--C 1.482 -1.663 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 t -77.01 83.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.123 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -67.08 -22.15 65.84 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.281 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.98 -33.08 6.73 Favored Glycine 0 CA--C 1.501 -0.828 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.42 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 N--CA 1.427 -1.582 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -179.071 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 12.4 tpt -171.2 83.67 0.08 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.365 1.066 . . . . 0.0 109.201 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 43.4 m-80 -69.78 129.69 40.27 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.459 175.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -115.96 159.07 22.1 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.28 137.12 48.44 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -155.72 155.47 26.3 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.216 176.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 27.3 mt -97.9 125.35 51.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.0 mm -63.53 105.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.08 -36.54 15.7 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.038 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -163.86 163.36 23.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -122.32 135.08 63.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 74.79 1.44 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.69 -101.08 0.81 Allowed Glycine 0 C--O 1.242 0.613 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.3 mmt -102.63 5.93 39.4 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.194 0.521 . . . . 0.0 109.806 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -112.83 156.02 23.63 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.25 142.14 45.9 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.02 122.61 48.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.04 128.72 73.24 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.072 0.463 . . . . 0.0 111.694 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.5 tp -88.52 102.16 14.65 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.495 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 29.7 p -72.13 174.55 7.0 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -65.33 -18.77 65.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.449 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -84.91 -10.14 57.4 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.665 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.24 15.68 78.03 Favored Glycine 0 C--O 1.22 -0.774 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.546 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -103.62 138.73 39.88 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -89.0 112.92 23.96 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.72 148.52 32.12 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.697 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.53 119.22 45.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 46' ' ' ILE . 45.7 pt -123.1 167.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.323 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -71.34 127.94 34.24 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.372 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -86.34 130.21 34.59 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.063 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.516 ' NH2' ' HA ' ' A' ' 41' ' ' PHE . 52.2 mtt180 -101.37 -175.02 2.74 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.36 -28.62 64.19 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.303 1.049 . . . . 0.0 109.227 178.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.96 8.24 18.35 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.463 -172.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.09 107.45 18.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 122.196 -0.315 . . . . 0.0 111.783 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.9 mttm -113.55 132.31 55.76 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.76 127.07 29.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.62 -27.47 8.36 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.538 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.7 pt20 -93.6 151.46 19.67 Favored 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.928 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 46.0 tt0 -86.95 123.67 32.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 174.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.92 159.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -99.58 121.55 41.36 Favored 'General case' 0 N--CA 1.411 -2.401 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 44.6 p90 -121.06 157.99 28.82 Favored 'General case' 0 CA--C 1.466 -2.272 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 1' ' ' MET . 3.4 mm-40 -94.26 173.52 7.6 Favored 'General case' 0 C--N 1.248 -3.813 0 CA-C-O 121.455 0.645 . . . . 0.0 110.513 -178.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -24.84 59.54 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.8 -5.04 49.46 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.935 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -96.12 -26.56 15.44 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.999 0.428 . . . . 0.0 109.904 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 48' ' ' ASN . 16.5 mt -65.4 136.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.055 0.542 . . . . 0.0 112.318 -172.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.98 -23.53 19.53 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.051 0.929 . . . . 0.0 108.751 175.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.519 ' H ' HG22 ' A' ' 46' ' ' ILE . 13.6 m120 -83.65 71.45 10.38 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.839 177.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.9 t -82.44 107.65 14.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.93 26.38 4.62 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.831 0.824 . . . . 0.0 110.373 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.48 -34.6 3.58 Favored Glycine 0 CA--C 1.483 -1.927 0 N-CA-C 106.068 -2.813 . . . . 0.0 106.068 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 mptt . . . . . 0 N--CA 1.411 -2.422 0 N-CA-C 101.739 -3.43 . . . . 0.0 101.739 168.699 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.44 -0.958 0 CA-C-O 120.763 0.316 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 mtm -153.0 115.17 4.38 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 42' ' ' GLU . 12.4 m120 -70.52 153.29 43.07 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.647 0.737 . . . . 0.0 112.347 177.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.487 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 10.5 tpt180 -140.09 157.18 46.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.3 mt -118.97 136.52 54.05 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -159.5 156.11 27.24 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.528 176.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 49.1 mt -95.16 131.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 C-N-CA 123.455 0.702 . . . . 0.0 109.793 -177.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.38 104.74 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -89.33 -32.42 17.34 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.343 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.84 162.5 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.03 140.39 48.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.4 77.08 1.75 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 174.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.17 -100.78 0.6 Allowed Glycine 0 C--N 1.31 -0.911 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.861 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -105.65 15.77 26.4 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.097 0.475 . . . . 0.0 110.838 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.0 155.92 29.45 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.26 144.13 44.64 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.1 t -98.76 121.88 49.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 13.3 m -114.09 128.43 71.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.126 0.489 . . . . 0.0 110.987 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.4 tp -90.69 103.1 15.84 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.435 ' HB ' ' OE2' ' A' ' 21' ' ' GLU . 60.3 p -68.3 172.61 5.68 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.036 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -63.84 -21.04 66.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.646 0.736 . . . . 0.0 110.525 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE2' ' HB ' ' A' ' 19' ' ' THR . 1.7 mp0 -82.84 -8.57 59.57 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.351 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.18 28.89 47.72 Favored Glycine 0 N--CA 1.435 -1.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -112.23 146.16 38.65 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -96.58 112.63 24.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.701 0.762 . . . . 0.0 109.675 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.8 146.29 36.65 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.92 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.7 mm -103.56 121.61 55.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' A' ' 46' ' ' ILE . 27.6 pt -123.16 168.7 15.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -176.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 73.9 mtm180 -67.98 125.68 27.08 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.879 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -85.02 126.9 33.93 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.168 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 73.0 mtt85 -94.81 166.14 12.13 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.48 -22.49 66.75 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -91.95 3.91 54.16 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -76.28 107.48 8.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.581 0.229 . . . . 0.0 110.423 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 46.8 mtpt -113.59 145.81 40.68 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.47 136.22 26.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 C-N-CA 122.874 0.47 . . . . 0.0 111.177 -174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.01 -24.67 28.69 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.117 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 6.8 pt20 -94.18 154.93 17.32 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 122.681 -0.306 . . . . 0.0 111.767 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.7 tt0 -86.87 132.9 33.69 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.75 151.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 120.899 0.38 . . . . 0.0 110.164 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -99.84 115.68 30.16 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 37.7 p90 -128.97 173.9 10.0 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 2' ' ' ASN . 3.2 mm-40 -107.2 170.77 7.76 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 121.292 0.568 . . . . 0.0 110.953 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.39 -25.21 61.41 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.647 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.78 -12.96 60.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.428 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -93.62 -14.48 26.42 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 122.135 -0.353 . . . . 0.0 110.792 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.436 ' HA ' HG22 ' A' ' 27' ' ' ILE . 8.9 mt -78.78 127.16 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 120.956 0.408 . . . . 0.0 110.159 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' CE1' ' HG2' ' A' ' 28' ' ' ARG . 4.6 m-85 -85.59 -36.03 20.66 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -137.24 104.78 5.5 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.766 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.9 t -86.77 -54.94 7.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 CA-C-O 121.665 0.745 . . . . 0.0 109.895 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -129.59 52.03 2.02 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.52 -40.14 3.03 Favored Glycine 0 C--O 1.221 -0.717 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -172.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.422 -1.84 0 N-CA-C 104.748 -2.316 . . . . 0.0 104.748 172.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.505 -0.786 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm -115.54 149.62 37.88 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -93.55 144.19 25.6 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 123.688 0.617 . . . . 0.0 109.897 177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 5.9 tpt180 -130.87 159.06 38.48 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.72 129.25 54.42 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 123.374 0.421 . . . . 0.0 109.981 -177.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.29 156.83 26.92 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 120.003 -1.094 . . . . 0.0 112.266 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 60.7 mt -94.11 128.59 45.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mm -63.58 104.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -86.49 -36.11 19.21 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.72 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -162.98 160.19 24.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -118.81 138.99 47.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 C-N-CA 123.3 0.64 . . . . 0.0 109.487 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.447 HE22 HG23 ' A' ' 16' ' ' VAL . 1.4 mp0 -125.0 76.81 1.56 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.66 -101.27 0.56 Allowed Glycine 0 C--O 1.248 0.98 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.699 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mmt -103.13 6.52 38.52 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.926 0.393 . . . . 0.0 111.21 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 89.4 mttt -109.51 158.34 18.09 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.7 145.6 44.91 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.447 HG23 HE22 ' A' ' 11' ' ' GLN . 91.8 t -97.87 120.78 47.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 175.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.01 129.54 67.29 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 tp -95.45 103.45 15.32 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 66.8 p -66.32 171.07 5.14 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.976 0.417 . . . . 0.0 112.038 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -64.85 -16.51 63.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.621 0.724 . . . . 0.0 109.963 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.78 -10.38 51.17 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.213 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.39 36.69 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.411 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -106.6 144.18 33.64 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -101.57 113.18 26.09 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -116.9 147.33 42.3 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.28 127.2 51.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 pt -129.24 168.38 22.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-O 120.893 0.378 . . . . 0.0 110.976 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.487 ' HD2' ' OD1' ' A' ' 45' ' ' ASP . 65.1 mtt180 -64.94 126.06 26.83 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -85.09 130.35 34.63 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.47 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 94.4 mtt180 -98.31 168.07 10.45 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.82 -12.46 61.64 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -98.44 3.15 48.32 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.294 0.569 . . . . 0.0 111.2 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -78.79 116.08 18.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mppt? -117.33 150.14 39.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.07 132.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 C-N-CA 122.667 0.387 . . . . 0.0 110.566 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.63 -21.02 35.56 Favored Glycine 0 C--N 1.314 -0.642 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.716 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.3 pt20 -93.25 146.5 23.65 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 120.269 -0.573 . . . . 0.0 111.876 -177.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 33.6 tt0 -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.09 162.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 122.662 0.385 . . . . 0.0 109.985 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p -107.88 127.12 53.45 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 29.2 p90 -131.81 168.76 17.25 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -109.86 166.93 10.54 Favored 'General case' 0 C--N 1.288 -2.087 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.133 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.533 HD22 HD12 ' A' ' 46' ' ' ILE . 4.9 m120 -60.15 -30.16 69.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.733 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.13 -26.06 61.97 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.165 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.487 ' OD1' ' HD2' ' A' ' 28' ' ' ARG . 39.3 m-20 -78.72 -15.87 57.93 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.533 HD12 HD22 ' A' ' 43' ' ' ASN . 58.9 mt -74.82 114.06 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-O 121.701 0.763 . . . . 0.0 111.499 -176.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -81.42 -5.72 58.19 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.923 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.406 ' H ' HG22 ' A' ' 46' ' ' ILE . 3.4 m-20 -72.48 -42.2 65.17 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 171.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.7 t -82.08 -44.76 19.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.096 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 50' ' ' ARG . 3.7 mmp_? -93.63 43.26 1.11 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.94 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.17 41.2 0.41 Allowed Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--N 1.306 -1.29 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.176 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 120.703 0.287 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mtm -115.54 133.2 56.26 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 172.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -93.74 139.73 30.48 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.524 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 1.2 tpt180 -121.47 148.05 44.96 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -112.67 131.47 55.63 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -156.59 156.12 26.89 Favored Glycine 0 N--CA 1.425 -2.054 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.768 177.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.3 mt -96.21 130.66 44.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.428 HD13 HG12 ' A' ' 17' ' ' VAL . 39.9 mm -66.67 103.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -83.92 -39.37 19.89 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.264 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -162.12 163.85 28.33 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mm -119.62 138.01 51.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.82 73.88 1.04 Allowed 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.72 -101.49 0.41 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.443 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 mmt -98.61 7.49 46.06 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.439 0.638 . . . . 0.0 110.511 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -120.17 156.32 31.34 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.29 144.82 51.56 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.97 113.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 7.6 m -107.87 131.22 58.75 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.083 0.468 . . . . 0.0 111.431 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -93.14 102.27 14.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.1 p -70.32 170.57 11.53 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.366 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -64.22 -14.92 58.62 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.487 0.661 . . . . 0.0 110.939 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.55 -13.02 55.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.282 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.56 25.53 38.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.654 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -111.18 148.5 32.63 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -102.28 112.72 25.52 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.69 154.8 25.56 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.903 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -103.39 118.46 50.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 46' ' ' ILE . 24.4 pt -122.42 166.29 17.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-O 120.659 0.266 . . . . 0.0 110.607 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 98.5 mtt180 -65.64 126.07 27.23 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -85.33 122.68 29.84 Favored 'General case' 0 N--CA 1.419 -1.998 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.614 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -94.34 164.72 12.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -71.94 -8.41 54.31 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.221 0.534 . . . . 0.0 111.789 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -79.62 -18.84 50.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.379 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.89 112.25 6.93 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.776 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -113.58 138.52 50.05 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.77 127.9 26.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.077 0.465 . . . . 0.0 111.459 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.08 -17.45 44.51 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 114.239 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -93.72 148.21 22.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.873 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 61.8 tt0 -82.83 120.18 25.32 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -111.33 153.91 13.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.586 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -106.56 115.4 30.14 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.6 p90 -128.84 171.48 12.23 Favored 'General case' 0 CA--C 1.47 -2.108 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -178.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -101.02 166.38 10.84 Favored 'General case' 0 C--N 1.273 -2.753 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.76 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.83 -14.15 61.89 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.759 0.79 . . . . 0.0 110.255 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -70.96 -30.61 66.93 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.719 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 3.4 m-20 -73.41 -22.56 60.2 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.673 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.414 ' HA ' HG22 ' A' ' 27' ' ' ILE . 62.4 mt -70.31 115.78 10.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 CA-C-O 121.875 0.845 . . . . 0.0 111.444 -176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 2.9 m-85 -74.18 -21.37 59.86 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.415 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -64.51 -29.14 70.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.203 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -82.57 -58.22 3.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.526 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -135.34 150.02 49.87 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.801 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.54 -70.69 1.17 Allowed Glycine 0 N--CA 1.437 -1.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.048 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.302 0 C-N-CA 124.474 1.109 . . . . 0.0 110.167 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 42' ' ' GLU . 2.1 m . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HB3' ' HB2' ' A' ' 43' ' ' ASN . 16.6 tpt -112.2 91.66 3.74 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.0 m120 -82.22 130.07 35.0 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -118.28 159.29 23.63 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.48 132.46 55.22 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 117.863 0.301 . . . . 0.0 110.839 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.96 157.21 28.26 Favored Glycine 0 CA--C 1.483 -1.967 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.976 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 43.7 mt -98.04 131.55 44.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 46.8 mm -68.11 111.41 2.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.537 0.684 . . . . 0.0 109.798 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -86.28 -38.72 17.25 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 114.098 -1.41 . . . . 0.0 109.567 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -159.29 162.84 36.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.458 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG12 HG22 ' A' ' 35' ' ' VAL . 13.3 mm -126.9 132.91 69.53 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -135.85 85.64 2.17 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 -118.09 9.05 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.7 11.75 32.29 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 120.998 0.428 . . . . 0.0 110.882 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -116.27 159.42 21.89 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.48 152.82 47.3 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.193 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.03 121.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 2.8 m -109.83 130.58 62.73 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.38 102.37 14.17 Favored 'General case' 0 N--CA 1.414 -2.241 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 170.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.492 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.9 p -70.11 173.57 6.44 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.086 0.47 . . . . 0.0 112.109 -173.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -64.44 -16.07 61.75 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.514 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -86.1 -8.02 58.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.446 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.72 30.65 38.77 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.647 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -114.96 145.91 41.74 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 m-85 -101.24 113.53 26.67 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 mp -114.63 144.1 43.96 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.067 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -90.73 117.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HG12 ' A' ' 46' ' ' ILE . 14.2 pt -125.47 170.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -83.36 131.67 35.04 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.418 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.721 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 32.4 ttt180 -73.69 134.99 43.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.641 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.18 175.26 5.79 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.55 -33.5 72.86 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -173.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 20.1 t70 -87.78 -10.02 52.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.595 0.712 . . . . 0.0 110.479 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.721 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 34.6 ttm -67.23 106.56 2.07 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.97 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 28.4 mttp -116.75 155.37 29.02 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 40.8 t -69.92 140.16 19.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.302 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.68 -25.33 27.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.24 -0.505 . . . . 0.0 114.124 174.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -94.04 154.26 17.73 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.043 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 26.8 tt0 -88.46 130.08 35.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -120.36 153.73 23.45 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 m -98.61 115.86 29.56 Favored 'General case' 0 N--CA 1.407 -2.603 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.2 p90 -123.82 168.3 12.92 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HG2' ' HB3' ' A' ' 0' ' ' SER . 1.8 mp0 -106.26 166.53 10.46 Favored 'General case' 0 C--N 1.273 -2.721 0 O-C-N 123.429 0.455 . . . . 0.0 110.673 -177.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 1.5 m-80 -78.55 -23.12 46.31 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 1.7 mp0 -64.91 -19.55 65.98 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 113.662 -1.608 . . . . 0.0 110.366 173.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -96.06 -12.95 24.11 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.705 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG22 ' H ' ' A' ' 48' ' ' ASN . 57.6 mt -79.14 117.38 24.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.599 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -76.57 -15.75 59.78 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.698 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.458 ' H ' HG22 ' A' ' 46' ' ' ILE . 9.6 m120 -83.45 -10.56 58.31 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.874 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.4 t -101.04 100.75 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -99.47 -27.16 13.86 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.687 -177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.08 102.43 1.14 Allowed Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.536 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 124.314 1.045 . . . . 0.0 111.833 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.418 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 2.1 p . . . . . 0 N--CA 1.437 -1.076 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtm -129.23 129.17 44.65 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -89.37 142.04 28.02 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.345 0.593 . . . . 0.0 111.493 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -130.75 158.61 39.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 178.702 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.29 143.69 47.21 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -166.04 156.2 27.95 Favored Glycine 0 N--CA 1.426 -1.971 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.974 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 47.0 mt -95.82 129.93 45.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 34.1 mm -67.4 104.98 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.565 0.697 . . . . 0.0 109.444 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -87.63 -35.5 18.01 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.832 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -162.53 165.06 26.56 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -130.89 139.47 51.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 123.818 0.847 . . . . 0.0 109.181 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -136.96 82.87 1.96 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.31 -121.19 8.85 Favored Glycine 0 N--CA 1.424 -2.145 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 83.1 mtp -100.05 26.13 6.73 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.492 0.663 . . . . 0.0 110.32 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -118.76 148.03 43.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.8 146.56 50.88 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.327 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -99.64 113.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.5 128.91 60.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.615 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -92.01 102.18 14.74 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 104.718 -2.326 . . . . 0.0 104.718 171.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 71.2 p -67.59 174.86 3.18 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -172.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -69.46 -6.68 31.97 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.189 0.995 . . . . 0.0 110.999 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -96.79 -6.83 35.21 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.187 176.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.94 59.66 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.533 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -111.01 145.05 39.15 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.845 0.323 . . . . 0.0 110.13 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -93.88 118.68 31.79 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mp -122.1 145.43 48.18 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.116 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 mm -93.78 120.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.452 HG22 ' HA ' ' A' ' 46' ' ' ILE . 36.1 pt -127.16 166.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.62 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -64.87 128.55 36.25 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.82 118.35 28.46 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.38 -179.05 5.11 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -78.55 -10.98 59.93 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.467 0.651 . . . . 0.0 110.294 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.8 -9.16 59.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.57 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -89.66 106.66 18.61 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 121.223 0.535 . . . . 0.0 111.444 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -114.29 143.44 44.86 Favored 'General case' 0 N--CA 1.422 -1.872 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.438 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 3.1 t -68.21 133.98 30.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 CA-C-O 121.255 0.55 . . . . 0.0 111.342 -175.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.23 -25.2 28.58 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.577 -0.738 . . . . 0.0 114.107 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -93.92 158.99 15.38 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.692 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.9 tt0 -89.57 128.7 36.06 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.56 161.52 23.6 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -111.73 132.21 54.79 Favored 'General case' 0 N--CA 1.401 -2.906 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.2 p90 -132.62 173.39 11.39 Favored 'General case' 0 C--N 1.267 -3.0 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.6 166.79 10.53 Favored 'General case' 0 C--N 1.266 -3.028 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 5.6 m-80 -72.41 -23.67 61.12 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 122.286 1.041 . . . . 0.0 109.137 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' OE1' ' HA ' ' A' ' 0' ' ' SER . 29.7 mp0 -67.34 -25.59 66.07 Favored 'General case' 0 N--CA 1.409 -2.515 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.429 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.69 -14.4 45.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' HA ' HG22 ' A' ' 27' ' ' ILE . 58.3 mt -74.57 128.96 36.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-O 121.33 0.586 . . . . 0.0 109.994 -177.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -83.14 -25.48 31.87 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.306 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' H ' HG22 ' A' ' 46' ' ' ILE . 18.6 m120 -93.8 76.46 4.25 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.994 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.5 t -87.67 103.37 13.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.007 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -116.92 82.9 1.88 Allowed 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 176.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.71 -63.06 0.42 Allowed Glycine 0 CA--C 1.487 -1.668 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HD3' ' C ' ' A' ' 52' ' ' LYS . 2.8 tmtt? . . . . . 0 C--N 1.299 -1.591 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.438 -1.03 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 53.7 mmm -119.6 109.4 15.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 121.396 -0.815 . . . . 0.0 111.859 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 70.0 m-20 -90.92 142.29 27.92 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.09 0.471 . . . . 0.0 111.619 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -130.06 157.77 41.48 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -116.5 122.66 45.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 117.78 0.264 . . . . 0.0 110.658 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.19 156.45 26.81 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.903 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 65.9 mt -95.59 130.38 44.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 29.8 mm -68.77 102.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-O 121.81 0.815 . . . . 0.0 109.498 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.0 -41.89 22.03 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 113.973 -1.467 . . . . 0.0 109.075 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -160.8 147.39 15.19 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.479 HD12 ' HG3' ' A' ' 29' ' ' ARG . 26.9 mm -111.94 133.43 57.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.516 HE22 HG23 ' A' ' 16' ' ' VAL . 1.9 mp0 -120.82 75.03 1.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.76 -100.84 0.95 Allowed Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.044 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.3 mtp -109.0 11.04 26.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.641 0.257 . . . . 0.0 111.299 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -112.21 155.99 23.08 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.4 41.48 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.637 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.516 HG23 HE22 ' A' ' 11' ' ' GLN . 85.8 t -100.12 113.67 36.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 7' ' ' ILE . 2.1 m -107.17 127.56 62.81 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 121.125 0.488 . . . . 0.0 110.992 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -94.38 106.28 18.25 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 174.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 37.6 p -65.38 164.7 13.19 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.023 0.439 . . . . 0.0 112.138 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -60.9 -17.55 51.35 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.925 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -91.85 -20.04 21.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.168 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.28 34.07 3.5 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 119.888 -1.149 . . . . 0.0 113.941 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.15 147.29 35.23 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -103.93 116.73 32.8 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -116.92 143.75 45.34 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.7 mm -95.74 120.65 45.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' HA ' ' A' ' 46' ' ' ILE . 40.8 pt -124.31 170.89 13.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 34.7 mtm180 -74.6 128.43 35.53 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.561 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 9.7 ttt180 -78.71 125.68 29.7 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -85.36 163.15 18.72 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -72.65 -14.32 61.56 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -110.5 9.57 23.21 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 122.025 0.917 . . . . 0.0 109.985 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 36.5 ttm -78.93 118.05 20.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.97 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -113.89 151.64 31.92 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.045 0.538 . . . . 0.0 110.847 -176.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 7.4 t -75.72 142.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.251 0.62 . . . . 0.0 111.259 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.05 15.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.865 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -92.79 157.5 16.38 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.497 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.2 tt0 -89.64 119.45 30.07 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 176.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -111.72 152.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.07 -175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 m -94.9 116.1 28.29 Favored 'General case' 0 N--CA 1.404 -2.737 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 172.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.5 p90 -120.44 172.99 7.43 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' ' O ' ' A' ' 1' ' ' MET . 38.8 mt-10 -108.67 166.17 11.0 Favored 'General case' 0 C--N 1.275 -2.634 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.185 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -74.88 -24.12 58.5 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.11 -18.71 64.01 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-N 113.823 -1.535 . . . . 0.0 111.064 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 29.7 m-20 -86.1 -17.07 36.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 122.086 -0.384 . . . . 0.0 110.739 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.647 HG22 ' H ' ' A' ' 48' ' ' ASN . 62.9 mt -68.8 126.01 27.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.225 0.536 . . . . 0.0 110.986 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.74 -5.48 40.96 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.562 0.696 . . . . 0.0 111.482 -177.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.647 ' H ' HG22 ' A' ' 46' ' ' ILE . 90.8 m-20 -85.08 -10.0 57.34 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.23 90.39 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.63 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -138.07 21.42 2.82 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.036 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.09 12.05 24.4 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.752 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.8 mttm . . . . . 0 N--CA 1.441 -0.919 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 176.879 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.435 -1.184 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 14.1 tpt -113.22 88.09 2.75 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 177.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 51.7 m-20 -85.41 127.6 34.43 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -174.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.593 ' NH1' ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -113.33 156.1 23.98 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 172.684 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -117.41 131.99 56.66 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 -175.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.82 156.26 26.61 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.236 -0.983 . . . . 0.0 111.766 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.7 mt -95.51 131.09 43.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 30.4 mm -65.03 106.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -90.16 -33.93 16.04 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.655 -176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -163.98 166.27 21.73 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.29 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 mm -125.27 135.35 64.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 C-N-CA 123.295 0.638 . . . . 0.0 109.32 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.55 74.13 1.1 Allowed 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.13 -101.28 0.47 Allowed Glycine 0 C--O 1.244 0.755 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.309 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -98.1 4.07 49.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.338 0.589 . . . . 0.0 110.756 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -114.86 155.21 27.23 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.17 144.73 50.87 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.19 117.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m -109.86 130.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.209 0 CA-C-O 120.926 0.393 . . . . 0.0 110.784 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -94.22 104.08 16.1 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 172.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.51 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 42.9 p -67.62 171.91 5.77 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.667 -173.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -66.64 -14.53 62.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.616 0.722 . . . . 0.0 110.349 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -89.52 -10.02 47.77 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.859 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 26.2 43.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.157 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -111.71 140.98 45.88 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.26 148.68 32.35 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.301 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.8 mm -102.79 117.83 48.78 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.2 pt -124.82 167.05 19.42 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.182 0 CA-C-O 120.78 0.324 . . . . 0.0 111.175 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 62.1 mtm180 -64.8 124.68 22.61 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.519 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -86.01 130.37 34.56 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.426 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -103.48 163.3 12.37 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.13 -18.68 64.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HD3' ' A' ' 34' ' ' LYS . 15.9 t70 -80.45 -15.72 56.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.711 0.291 . . . . 0.0 111.365 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.55 107.89 2.66 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 3.1 mppt? -113.41 149.1 34.63 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.407 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 t -71.12 134.57 29.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.89 -22.86 29.06 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.953 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -93.21 152.42 19.22 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.551 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 32.2 tt0 -89.23 124.52 34.45 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.31 148.6 18.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 120.967 0.413 . . . . 0.0 111.226 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -94.37 118.28 31.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 35.9 p90 -125.78 166.22 17.22 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 1' ' ' MET . 1.9 mp0 -105.4 170.35 7.94 Favored 'General case' 0 C--N 1.272 -2.776 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -68.01 -27.53 66.63 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.31 -23.78 67.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.918 176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 15.3 m-20 -79.65 -22.54 43.43 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.281 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.48 115.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 CA-C-O 121.512 0.672 . . . . 0.0 111.224 -175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 -83.59 -12.05 56.56 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.937 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -64.95 111.11 2.7 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 123.457 0.473 . . . . 0.0 110.004 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.76 84.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -98.31 98.82 10.02 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.546 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.52 -160.53 13.92 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 C--N 1.299 -1.623 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.656 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.444 -0.725 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 mtm -113.65 124.9 53.42 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -90.55 133.56 34.99 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.77 0.319 . . . . 0.0 110.577 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -120.53 153.56 36.54 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -113.94 134.85 54.56 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -155.01 155.98 26.6 Favored Glycine 0 N--CA 1.428 -1.862 0 C-N-CA 120.325 -0.941 . . . . 0.0 111.31 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 52.3 mt -95.1 130.89 43.26 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.22 104.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -84.73 -37.34 21.01 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.542 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -164.01 164.74 22.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mm -120.63 139.12 48.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 C-N-CA 122.85 0.46 . . . . 0.0 109.934 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.41 74.56 1.06 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 -102.99 0.81 Allowed Glycine 0 C--N 1.312 -0.75 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.4 mtp -106.32 18.24 22.28 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.599 0.714 . . . . 0.0 110.529 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -118.74 158.42 25.59 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.17 144.65 45.11 Favored 'General case' 0 C--N 1.288 -2.095 0 CA-C-O 120.563 0.22 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.36 114.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -108.43 125.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 55.5 tp -89.54 102.28 14.96 Favored 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.6 p -66.53 167.86 10.13 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.664 -174.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -68.86 -5.03 18.62 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.48 0.657 . . . . 0.0 110.318 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.52 -11.22 30.0 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.41 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.89 27.64 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.291 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 30.7 mt-10 -115.81 154.57 29.42 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.49 113.07 26.43 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HG ' HD21 ' A' ' 48' ' ' ASN . 8.8 mp -115.28 144.42 43.76 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.791 -178.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -93.89 122.24 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.413 HG22 ' HA ' ' A' ' 46' ' ' ILE . 15.6 pt -126.4 171.43 15.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 132.85 48.02 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 174.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -86.27 122.15 29.86 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 119.244 -0.982 . . . . 0.0 108.957 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.678 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 72.2 mtt180 -88.95 172.79 8.88 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -73.32 -9.28 58.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -168.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -115.89 8.4 14.72 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.605 0.717 . . . . 0.0 112.0 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.678 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -70.64 108.71 4.51 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.378 -179.499 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -113.82 144.14 43.5 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 108.561 -0.904 . . . . 0.0 108.561 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.8 123.71 21.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-O 121.027 0.441 . . . . 0.0 111.378 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.21 -23.62 10.47 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.248 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -93.31 156.97 16.48 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.784 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 52.4 tt0 -91.47 118.77 30.85 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.51 149.34 13.45 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.176 0.512 . . . . 0.0 111.264 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 p -96.46 116.25 28.75 Favored 'General case' 0 N--CA 1.415 -2.198 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.507 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -125.04 170.68 10.92 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -103.12 163.86 11.97 Favored 'General case' 0 C--N 1.273 -2.745 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.37 -14.78 61.81 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.287 0.565 . . . . 0.0 110.159 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.65 -29.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.092 174.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.39 -13.67 59.88 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.414 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HA ' HG22 ' A' ' 27' ' ' ILE . 83.4 mt -68.11 118.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 121.4 0.619 . . . . 0.0 110.574 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -81.31 -9.9 59.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.303 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.447 HD21 ' HG ' ' A' ' 25' ' ' LEU . 81.1 m-20 -56.43 137.34 53.12 Favored 'General case' 0 CA--C 1.498 -1.031 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t -85.03 -69.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.078 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -125.48 -85.13 0.63 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.35 65.67 1.27 Allowed Glycine 0 N--CA 1.434 -1.46 0 N-CA-C 109.806 -1.318 . . . . 0.0 109.806 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.241 0.614 0 C-N-CA 123.861 0.864 . . . . 0.0 109.138 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.443 -0.809 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB2' ' ND2' ' A' ' 43' ' ' ASN . 79.9 mtp -140.98 120.93 13.6 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 122.476 0.31 . . . . 0.0 110.241 -177.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -68.64 148.04 51.02 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 172.676 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.588 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.7 tpt180 -143.39 155.69 44.48 Favored 'General case' 0 C--N 1.29 -2.011 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -111.18 130.31 55.68 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.497 0.498 . . . . 0.0 110.338 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.61 155.76 26.42 Favored Glycine 0 N--CA 1.428 -1.844 0 C-N-CA 119.966 -1.112 . . . . 0.0 111.806 177.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 40.2 mt -95.11 128.15 46.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.7 101.03 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -85.76 -34.93 21.05 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.837 -176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.69 159.82 30.74 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -121.43 134.27 65.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.32 73.5 1.05 Allowed 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.04 -100.66 0.35 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.731 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 mmt -95.74 1.69 53.51 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.34 0.656 . . . . 0.0 110.609 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -112.07 157.13 21.15 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.94 140.68 44.19 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.7 119.54 43.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 m -109.68 129.24 64.9 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-O 121.234 0.54 . . . . 0.0 110.946 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -93.82 102.82 14.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.505 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 40.5 p -68.22 168.99 11.2 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.4 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -68.86 -8.88 47.94 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.466 0.651 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' CD ' HH21 ' A' ' 3' ' ' ARG . 25.9 mt-10 -88.2 -15.52 35.76 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.969 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.74 22.18 31.75 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.532 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -110.03 145.65 36.67 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -98.71 116.15 30.3 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.27 148.08 41.98 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 mm -98.37 124.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' HA ' ' A' ' 46' ' ' ILE . 30.9 pt -125.86 169.13 17.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -69.75 128.16 35.47 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -87.64 124.85 33.97 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 81.2 mtt180 -92.69 169.75 10.25 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -77.07 -7.2 55.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.654 0.74 . . . . 0.0 110.631 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.88 -6.95 53.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.472 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.42 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -73.98 121.14 20.55 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.388 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.1 mttm -120.22 139.92 51.95 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 175.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -69.21 133.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.22 -23.71 32.49 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.39 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.2 pt20 -93.21 148.69 21.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 118.095 0.947 . . . . 0.0 112.367 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.1 tt0 -83.22 121.51 27.19 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -116.23 161.57 14.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.255 -175.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 120.4 41.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 28.9 p90 -122.17 173.91 7.29 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -107.65 168.82 8.99 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-O 120.996 0.426 . . . . 0.0 110.049 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 1' ' ' MET . 1.7 m-80 -74.2 -24.18 59.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.557 0.694 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.31 -10.9 59.87 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.484 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -90.36 -21.44 21.98 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 48' ' ' ASN . 50.9 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.64 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.3 m-85 -76.39 -13.1 60.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.022 0.915 . . . . 0.0 110.645 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' H ' HG22 ' A' ' 46' ' ' ILE . 6.0 m-20 -72.66 -30.96 64.72 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.743 173.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -91.52 -61.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.532 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -82.75 114.26 20.97 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.367 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.71 -59.64 4.69 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.196 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt . . . . . 0 C--N 1.316 -0.885 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.776 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.454 ' OG ' ' HG3' ' A' ' 44' ' ' GLU . 73.6 p . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 121.023 0.439 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 mtm -131.97 146.75 52.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.8 m120 -91.65 161.98 14.69 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.157 0.503 . . . . 0.0 111.171 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 12.3 tpt180 -146.84 151.02 36.41 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 174.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.91 125.71 53.95 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 123.142 0.276 . . . . 0.0 110.657 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.96 156.18 26.56 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 119.63 -1.271 . . . . 0.0 111.805 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.2 mt -95.16 130.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.42 HD13 HG12 ' A' ' 17' ' ' VAL . 30.9 mm -67.98 104.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.34 -35.55 27.76 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.536 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -164.39 158.77 18.93 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.431 HG12 HG22 ' A' ' 35' ' ' VAL . 25.0 mm -114.33 143.58 23.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.58 76.49 1.71 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.76 -109.67 3.01 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.4 mtp -106.07 16.4 25.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.704 0.764 . . . . 0.0 110.083 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -111.54 159.34 18.21 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.58 143.22 47.24 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -99.39 113.08 33.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 3.5 m -104.54 134.51 45.69 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.037 0 CA-C-O 121.065 0.46 . . . . 0.0 111.034 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.03 102.6 14.4 Favored 'General case' 0 N--CA 1.407 -2.59 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 64.5 p -69.86 167.42 17.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.656 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -58.62 -24.68 61.56 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.259 0.552 . . . . 0.0 111.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.95 -19.82 60.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.89 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.09 24.17 15.53 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -106.16 144.79 32.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 42.5 m-85 -101.98 113.31 26.43 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mp -112.6 146.28 38.87 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.451 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.89 120.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' A' ' 46' ' ' ILE . 26.2 pt -125.92 163.99 26.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.5 131.47 46.11 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -89.51 125.62 35.26 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -99.9 175.25 5.84 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -67.24 -22.96 65.66 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.91 7.51 36.92 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -88.95 114.17 25.28 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 57.7 mtpt -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG22 HG12 ' A' ' 10' ' ' ILE . 24.4 t -65.26 131.49 31.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-O 120.867 0.365 . . . . 0.0 111.048 -177.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.67 -27.19 18.79 Favored Glycine 0 N--CA 1.432 -1.618 0 C-N-CA 121.226 -0.512 . . . . 0.0 113.828 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.6 pt20 -93.7 158.04 15.87 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.429 0.615 . . . . 0.0 112.003 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 60.3 tt0 -93.77 121.66 35.45 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.5 m -115.39 156.34 16.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.987 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.007 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -102.44 116.11 31.95 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 26.5 p90 -120.26 173.84 6.88 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -109.2 167.97 9.72 Favored 'General case' 0 C--N 1.274 -2.697 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.512 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.04 -22.06 64.98 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.748 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG3' ' OG ' ' A' ' 0' ' ' SER . 43.0 mt-10 -75.69 -15.36 60.31 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.58 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -89.49 -19.45 25.06 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' A' ' 27' ' ' ILE . 14.8 mt -76.09 121.1 27.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-O 121.071 0.462 . . . . 0.0 111.399 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -76.72 -25.81 53.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' HA ' ' OXT' ' A' ' 52' ' ' LYS . 3.4 m-20 -76.63 150.9 36.37 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.939 175.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.8 t -93.43 -57.82 4.09 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 175.7 103.76 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.61 -33.98 6.04 Favored Glycine 0 C--N 1.304 -1.229 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' OXT' ' HA ' ' A' ' 48' ' ' ASN . 5.2 tmtm? . . . . . 0 N--CA 1.417 -2.117 0 N-CA-C 102.566 -3.124 . . . . 0.0 102.566 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.54 0.563 0 CA-C-O 121.032 0.444 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.4 mtp -152.76 93.79 1.8 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.987 0.915 . . . . 0.0 108.728 -177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 22.3 m120 -57.14 122.84 13.36 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.257 0.551 . . . . 0.0 110.297 173.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.521 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -117.42 152.42 35.02 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.18 130.74 57.0 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.2 155.97 26.53 Favored Glycine 0 CA--C 1.481 -2.091 0 C-N-CA 119.88 -1.152 . . . . 0.0 111.83 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 56.3 mt -94.67 127.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.471 HD11 ' HG3' ' A' ' 33' ' ' MET . 34.8 mm -65.32 106.56 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -83.17 -40.3 19.9 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.118 -1.401 . . . . 0.0 109.55 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -165.61 160.33 17.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.02 139.51 39.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 74.72 1.34 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.05 -104.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.4 mmt -103.75 8.73 37.26 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.149 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 50.7 mtmt -110.27 159.06 17.74 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.46 141.43 45.36 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -96.22 114.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG23 ' HB2' ' A' ' 25' ' ' LEU . 4.2 m -106.91 131.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.828 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.51 102.27 14.03 Favored 'General case' 0 N--CA 1.409 -2.498 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.444 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 28.6 p -65.91 168.12 8.57 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.476 -174.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 p -65.23 -13.95 59.53 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.532 0.682 . . . . 0.0 110.923 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -86.26 -9.07 57.19 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.185 0.994 . . . . 0.0 110.782 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.26 23.65 43.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.835 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -111.87 144.66 40.83 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -97.63 113.04 24.69 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.9 mp -109.93 146.38 35.28 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -98.15 120.44 47.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 46' ' ' ILE . 32.3 pt -124.83 171.1 14.12 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-O 120.806 0.336 . . . . 0.0 110.462 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -76.48 132.85 39.83 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -89.87 126.17 35.61 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -73.97 -11.25 60.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 110.371 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.68 -12.8 59.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.948 0.899 . . . . 0.0 110.958 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.471 ' HG3' HD11 ' A' ' 7' ' ' ILE . 1.9 mpt? -95.49 113.02 24.63 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 120.986 0.422 . . . . 0.0 112.022 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 62.5 mtpt -132.66 144.64 50.47 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.41 128.73 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.998 -173.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 -28.79 9.5 Favored Glycine 0 N--CA 1.435 -1.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.979 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.9 pt20 -93.45 156.79 16.55 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.866 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.6 tt0 -88.82 126.57 35.42 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -114.84 162.4 12.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.79 122.37 47.47 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 27.4 p90 -136.35 169.18 18.09 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.88 175.94 5.32 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -71.42 -28.22 63.84 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.855 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -70.57 -18.01 62.91 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.223 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.73 -20.51 39.21 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' HA ' HG22 ' A' ' 27' ' ' ILE . 22.1 mt -74.03 129.36 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.735 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -72.0 -34.86 69.22 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.941 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' H ' HG22 ' A' ' 46' ' ' ILE . 16.7 m120 -75.71 -55.45 5.63 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.66 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.0 t 54.22 62.0 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 -168.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -87.69 146.84 25.5 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 114.605 -1.18 . . . . 0.0 112.558 -169.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.16 -40.53 0.06 OUTLIER Glycine 0 C--N 1.292 -1.862 0 N-CA-C 104.534 -3.426 . . . . 0.0 104.534 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.9 tttp . . . . . 0 N--CA 1.417 -2.114 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 169.329 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.432 -1.362 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt -87.49 85.87 7.16 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 12.3 m120 -84.57 126.99 33.82 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.36 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.0 tpt180 -115.52 154.37 29.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.5 mt -109.97 133.6 53.01 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.27 156.11 26.63 Favored Glycine 0 CA--C 1.483 -1.929 0 C-N-CA 120.212 -0.994 . . . . 0.0 111.983 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.3 mt -97.24 128.82 48.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.459 HD13 HG12 ' A' ' 17' ' ' VAL . 30.2 mm -65.32 105.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -89.03 -35.22 16.49 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.488 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -164.51 168.04 18.76 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -174.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.426 HG21 ' NH1' ' A' ' 29' ' ' ARG . 26.2 mm -124.56 141.25 45.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -129.93 74.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 123.171 0.588 . . . . 0.0 109.795 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.55 -111.26 3.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 7.7 mmt -98.13 10.76 39.72 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.644 0.735 . . . . 0.0 110.567 178.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 91.5 mttt -114.82 159.08 21.04 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.25 149.51 50.96 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.5 115.4 44.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 HD13 ' A' ' 7' ' ' ILE . 6.6 m -108.93 128.52 64.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.086 0.47 . . . . 0.0 111.424 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 tp -91.24 102.08 14.8 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.522 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 20.7 p -66.37 166.7 11.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.28 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -69.59 -5.41 24.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.827 0.822 . . . . 0.0 110.195 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.82 -1.48 40.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.3 20.47 62.41 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.29 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -115.59 145.57 42.55 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 117.891 0.846 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -92.99 113.03 25.2 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.12 141.17 44.97 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-O 120.864 0.364 . . . . 0.0 110.245 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -92.75 117.39 36.03 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.89 170.06 16.44 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.934 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -65.89 128.84 37.61 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.624 0.577 . . . . 0.0 109.678 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' NH1' HG21 ' A' ' 10' ' ' ILE . 12.1 ttt180 -84.05 125.53 32.19 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.561 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 3.0 mpt_? -91.96 165.11 13.38 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.9 -31.34 72.38 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -85.88 0.21 53.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.35 107.6 1.39 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.958 0.408 . . . . 0.0 111.785 -179.23 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OE1' ' A' ' 37' ' ' GLN . 35.4 mtmm -113.42 141.66 46.82 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 t -72.89 130.23 35.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 123.368 0.418 . . . . 0.0 110.648 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.88 -23.69 12.79 Favored Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 116.145 -0.479 . . . . 0.0 113.67 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 13.7 pt20 -94.11 153.31 18.19 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 122.313 -0.521 . . . . 0.0 112.297 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.0 tt0 -88.7 126.39 35.29 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 174.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.62 162.54 16.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.918 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -109.66 125.48 52.66 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.6 p90 -132.03 164.67 25.69 Favored 'General case' 0 CA--C 1.483 -1.61 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -103.16 169.29 8.64 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 123.773 0.671 . . . . 0.0 109.863 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.28 -20.89 60.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 120.897 0.379 . . . . 0.0 111.555 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.94 -35.26 80.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.937 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 30' ' ' ARG . 3.6 m-20 -82.46 -7.9 59.63 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.199 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.1 mt -75.78 119.57 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-O 121.507 0.67 . . . . 0.0 110.037 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.524 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 9.3 m-85 -84.68 -15.72 44.32 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.823 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 48' ' ' ASN . 6.1 m120 -84.11 17.63 2.41 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -81.86 103.11 8.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -88.64 147.49 24.51 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.023 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.25 86.84 0.46 Allowed Glycine 0 N--CA 1.424 -2.118 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.311 -1.092 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.429 ' H2 ' ' CD ' ' A' ' 42' ' ' GLU . 2.9 p . . . . . 0 N--CA 1.431 -1.394 0 CA-C-O 121.075 0.464 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mtm -135.73 83.67 2.03 Favored 'General case' 0 N--CA 1.438 -1.067 0 O-C-N 121.817 -0.552 . . . . 0.0 110.406 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.0 m120 -59.3 126.17 26.58 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.201 172.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 6.1 tpt180 -119.1 156.27 30.05 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.5 mt -107.96 132.54 53.4 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.79 155.35 26.22 Favored Glycine 0 CA--C 1.477 -2.307 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.789 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 16.0 mt -100.3 130.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.252 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.38 105.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 121.445 0.64 . . . . 0.0 109.557 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -86.3 -37.44 18.54 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.244 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -162.29 158.02 23.65 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.609 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mm -112.87 137.09 47.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 75.06 1.3 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.31 -110.75 3.44 Favored Glycine 0 C--O 1.245 0.81 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.4 mtp -104.26 17.85 23.29 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.437 0.637 . . . . 0.0 110.372 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 57.3 mttp -118.29 162.37 18.38 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.29 146.89 45.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 120.651 0.262 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.72 115.65 39.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -109.73 130.31 63.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 CA-C-O 121.058 0.456 . . . . 0.0 111.762 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 56.3 tp -90.16 102.24 14.96 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 170.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.476 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 36.0 p -74.49 174.45 8.93 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.8 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -65.46 -11.71 45.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.063 0.945 . . . . 0.0 110.125 174.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.86 -10.52 45.01 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.752 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.97 14.77 80.26 Favored Glycine 0 C--O 1.24 0.513 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -104.85 141.71 36.03 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 43.7 m-85 -95.56 113.4 25.04 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.8 mp -109.63 150.6 28.0 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.091 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mm -100.93 113.76 37.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 46' ' ' ILE . 44.5 pt -123.2 170.55 13.33 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.229 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.35 134.12 50.9 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -85.05 129.36 34.81 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.5 mtt180 -101.98 -176.13 3.04 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -74.49 -33.33 62.8 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.899 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -82.4 11.0 6.01 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.725 0.774 . . . . 0.0 112.095 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -76.52 107.43 8.8 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.437 -0.789 . . . . 0.0 110.273 178.461 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HE3' ' NE2' ' A' ' 37' ' ' GLN . 30.4 mtmt -125.7 131.86 52.5 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 t -61.93 120.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 120.916 0.389 . . . . 0.0 110.968 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 -28.09 8.19 Favored Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.716 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -94.42 160.4 14.68 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 51.8 tt0 -95.73 125.92 40.64 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.714 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.18 152.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.475 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m -98.9 115.86 29.82 Favored 'General case' 0 N--CA 1.413 -2.284 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 50.9 p90 -121.1 172.65 7.81 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CD ' ' H2 ' ' A' ' 0' ' ' SER . 1.7 mm-40 -112.45 175.72 5.32 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 121.176 0.512 . . . . 0.0 111.384 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -21.82 60.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.783 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.64 -28.67 62.88 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.914 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -12.62 59.09 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.341 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 27' ' ' ILE . 25.6 mt -75.46 122.8 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 CA-C-O 121.267 0.555 . . . . 0.0 110.127 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.5 m-85 -81.53 -21.76 38.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.488 177.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -71.01 134.01 46.8 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 170.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.3 t -71.94 93.21 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -169.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.16 2.82 23.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.038 174.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.45 -159.52 10.03 Favored Glycine 0 N--CA 1.432 -1.631 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.9 mttt . . . . . 0 C--N 1.295 -1.783 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 175.042 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HB2' ' OD1' ' A' ' 43' ' ' ASN . 13.9 mtp -59.13 154.16 16.55 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.833 0.853 . . . . 0.0 112.713 -175.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.45 ' OD1' ' HG3' ' A' ' 42' ' ' GLU . 59.9 m-20 -93.71 151.69 19.47 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.387 172.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -139.35 156.48 46.98 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.601 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -122.97 132.05 53.98 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.04 155.65 26.32 Favored Glycine 0 CA--C 1.477 -2.306 0 C-N-CA 119.74 -1.219 . . . . 0.0 111.903 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 59.9 mt -95.1 129.91 44.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.517 HD11 ' HG3' ' A' ' 33' ' ' MET . 41.2 mm -66.74 108.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -88.37 -34.25 17.66 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.507 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -164.58 153.8 13.3 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -118.15 144.98 24.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.53 74.65 1.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 175.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.5 -103.18 0.98 Allowed Glycine 0 N--CA 1.439 -1.127 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 mtp -105.78 16.18 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.252 0.549 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -114.32 153.41 29.82 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.99 140.64 42.3 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.5 t -96.34 113.15 29.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -105.49 128.54 59.44 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.465 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.0 tp -94.11 101.93 13.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 170.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.522 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 33.0 p -63.56 168.29 4.84 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.131 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -66.69 -14.41 62.47 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.502 0.668 . . . . 0.0 110.37 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.42 -1.27 57.63 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.467 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 29.34 51.79 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.974 -0.557 . . . . 0.0 114.052 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -116.01 148.4 40.19 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 117.525 0.662 . . . . 0.0 110.31 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 54.1 m-85 -98.04 118.19 34.09 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -120.83 148.54 43.88 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.661 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.05 116.04 36.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -120.31 164.09 17.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-O 120.954 0.407 . . . . 0.0 110.41 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -73.31 120.68 19.25 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 30.4 ttt180 -73.66 131.31 41.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.989 -177.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 96.5 mtt180 -96.69 178.09 5.44 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 174.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.22 -43.83 97.0 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.06 20.34 1.24 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.54 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -82.98 105.92 14.38 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.256 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -119.28 136.52 54.19 Favored 'General case' 0 N--CA 1.425 -1.72 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.69 124.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 123.255 0.347 . . . . 0.0 110.693 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.83 -29.36 7.21 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.417 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -93.98 155.25 17.24 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.036 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.7 tt0 -87.96 125.6 34.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.2 151.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.945 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.85 127.12 50.16 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 30.8 p90 -140.85 -179.87 6.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' HG3' ' OD1' ' A' ' 2' ' ' ASN . 2.2 mp0 -114.73 167.54 10.67 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.543 ' OD1' ' HB2' ' A' ' 1' ' ' MET . 7.6 m120 -64.37 -18.66 64.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.524 0.678 . . . . 0.0 110.73 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.2 -17.94 58.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.099 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.47 -24.03 34.42 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.546 HG22 ' H ' ' A' ' 48' ' ' ASN . 14.1 mt -67.39 139.88 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.715 -176.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -77.56 -3.29 39.96 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.189 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 46' ' ' ILE . 2.6 m-20 -111.89 107.08 15.98 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -177.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.8 t -129.91 160.24 41.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -95.51 86.76 4.55 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.271 0.558 . . . . 0.0 110.09 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.69 -132.95 2.43 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--N 1.316 -0.877 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.507 177.67 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.239 0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 ptm -175.25 121.08 0.2 Allowed 'General case' 0 C--O 1.253 1.257 0 C-N-CA 124.447 1.099 . . . . 0.0 109.786 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 27.2 m120 -75.22 150.23 38.69 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.888 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.8 tpt180 -130.83 156.77 44.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 175.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.69 137.04 47.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.933 0.397 . . . . 0.0 111.166 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.26 155.92 26.91 Favored Glycine 0 N--CA 1.42 -2.394 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.4 mt -99.38 127.67 51.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.426 HD13 ' CG1' ' A' ' 17' ' ' VAL . 36.7 mm -64.76 110.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -91.91 -32.8 15.15 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.274 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -162.7 141.04 8.53 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -110.24 131.64 60.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -135.51 89.74 2.54 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.53 -106.87 1.87 Allowed Glycine 0 N--CA 1.433 -1.555 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.284 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mmt -108.58 12.01 26.28 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.224 0.535 . . . . 0.0 109.922 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 94.2 mttt -114.25 155.46 26.12 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 140.59 45.28 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.202 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.39 119.83 45.95 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -108.75 129.49 63.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-O 120.98 0.419 . . . . 0.0 110.896 178.337 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.5 tp -92.79 102.1 14.49 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 171.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.518 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 44.3 p -71.42 175.17 5.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.565 -172.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -67.82 -8.37 35.53 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.362 0.665 . . . . 0.0 111.188 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -98.17 -0.62 43.91 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.688 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.24 20.35 77.35 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.532 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -101.36 147.18 26.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.06 112.78 24.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.46 147.66 33.61 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.38 120.82 47.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' A' ' 46' ' ' ILE . 42.1 pt -126.84 164.36 27.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -69.62 132.36 46.08 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.154 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.761 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 57.2 ttt180 -78.11 137.76 38.38 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.618 0.723 . . . . 0.0 110.234 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -110.55 173.67 6.22 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -65.81 -41.48 91.84 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.14 0.495 . . . . 0.0 112.152 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -90.55 17.43 7.47 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.063 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.761 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 43.9 ttm -98.65 106.88 19.2 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 2.1 mtpm? -125.62 155.29 40.99 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.16 130.99 35.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 120.581 0.229 . . . . 0.0 110.88 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.15 -27.83 9.8 Favored Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.265 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 13.0 pt20 -93.69 147.08 23.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 44.0 tt0 -86.52 117.08 25.07 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.98 154.83 15.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -95.95 116.14 28.49 Favored 'General case' 0 N--CA 1.417 -2.09 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.9 p90 -120.03 164.34 16.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.32 166.57 11.65 Favored 'General case' 0 C--N 1.261 -3.251 0 CA-C-O 121.284 0.564 . . . . 0.0 110.222 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.39 -20.57 65.56 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.987 0.898 . . . . 0.0 108.836 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.39 -12.39 60.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.85 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.15 -18.6 23.28 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' HA ' HG22 ' A' ' 27' ' ' ILE . 18.5 mt -72.84 123.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 -173.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 2.2 m-85 -71.91 -27.8 63.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.841 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 46' ' ' ILE . 15.7 m120 -74.19 93.55 2.34 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 173.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.5 t -70.61 105.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 121.343 0.592 . . . . 0.0 111.096 -175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -106.4 136.94 45.27 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.38 -169.48 29.67 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.308 -1.216 0 CA-C-N 116.689 0.244 . . . . 0.0 111.345 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 121.032 0.444 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.4 mtp -145.0 81.83 1.65 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 56.7 m-80 -65.43 134.37 53.32 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.291 0.567 . . . . 0.0 112.036 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.473 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.1 tpt180 -122.05 156.41 33.6 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -112.47 130.98 55.8 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -153.18 156.33 26.67 Favored Glycine 0 CA--C 1.478 -2.244 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.985 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 39.6 mt -100.67 130.98 49.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' A' ' 33' ' ' MET . 32.6 mm -65.27 107.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-O 121.496 0.665 . . . . 0.0 109.935 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -85.6 -40.22 16.48 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.723 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -162.78 161.09 26.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG21 ' NH1' ' A' ' 29' ' ' ARG . 28.2 mm -120.29 144.1 30.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.14 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.33 74.43 1.55 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.25 -101.31 0.42 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.063 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 mmt -98.9 4.79 47.49 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.184 0.516 . . . . 0.0 111.197 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -113.79 155.67 25.24 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.8 44.68 Favored 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.77 112.8 33.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 m -108.67 123.82 64.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 CA-C-O 121.21 0.529 . . . . 0.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -89.93 102.82 15.53 Favored 'General case' 0 N--CA 1.419 -2.009 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.546 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.2 p -64.71 162.45 15.86 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.493 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -66.39 -10.33 42.47 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.837 0.827 . . . . 0.0 110.743 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' CD ' HH21 ' A' ' 3' ' ' ARG . 36.4 mt-10 -100.72 0.42 38.9 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.928 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.69 18.22 55.12 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -107.32 140.9 39.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 117.298 0.549 . . . . 0.0 110.309 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -96.2 113.41 25.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -111.28 148.81 32.1 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -103.93 115.25 45.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 46' ' ' ILE . 26.9 pt -124.07 170.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-O 120.842 0.353 . . . . 0.0 111.222 -176.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.455 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 77.3 mtt180 -69.6 128.94 38.26 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 172.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' NH1' HG21 ' A' ' 10' ' ' ILE . 7.9 ttt180 -83.28 120.34 25.72 Favored 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.748 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.7 mtt180 -91.19 173.83 7.72 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -73.52 -8.54 56.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.917 0.389 . . . . 0.0 111.769 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -79.01 -43.67 23.84 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.292 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.4 mpt? -50.52 112.78 0.75 Allowed 'General case' 0 C--O 1.244 0.794 0 C-N-CA 125.622 1.569 . . . . 0.0 114.541 -173.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -119.47 140.83 49.82 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 174.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 17.2 t -64.6 122.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.76 0.314 . . . . 0.0 111.159 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.9 -22.91 22.71 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.783 178.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -93.25 154.2 18.15 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.384 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.3 tt0 -85.26 128.95 34.88 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.37 156.93 23.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 t -104.44 116.25 31.78 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 43.5 p90 -121.1 178.51 4.72 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -116.27 169.91 8.93 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-O 121.219 0.533 . . . . 0.0 111.737 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 2.6 m-80 -78.07 -22.84 48.45 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.459 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -82.65 -3.26 55.99 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.693 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 m-20 -102.29 -10.29 19.64 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 27' ' ' ILE . 72.4 mt -75.12 125.92 35.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 -81.99 -18.24 44.09 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.625 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -67.53 129.51 40.12 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.556 -2.016 . . . . 0.0 105.556 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 t -70.63 91.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-O 121.833 0.825 . . . . 0.0 112.773 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.7 126.05 3.83 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 173.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.38 57.21 0.59 Allowed Glycine 0 N--CA 1.428 -1.834 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -176.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? . . . . . 0 C--N 1.308 -1.229 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.399 -177.649 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.3 m120 . . . . . 0 N--CA 1.433 -1.277 0 CA-C-O 121.912 0.863 . . . . 0.0 113.014 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -125.64 152.43 45.19 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -115.91 129.71 56.52 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.12 156.06 26.58 Favored Glycine 0 CA--C 1.479 -2.188 0 C-N-CA 119.643 -1.265 . . . . 0.0 112.187 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.8 mt -95.04 128.34 46.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.463 HD11 ' HG3' ' A' ' 33' ' ' MET . 43.6 mm -66.57 102.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -86.33 -35.41 19.88 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.047 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -162.32 163.21 28.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -125.77 136.42 60.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.88 73.92 1.24 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 -103.11 0.52 Allowed Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.0 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 mmt -95.35 8.21 43.86 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.066 0.46 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -114.58 155.29 26.79 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 141.86 45.15 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -96.96 117.21 41.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.91 128.26 64.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 CA-C-O 121.02 0.438 . . . . 0.0 111.04 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -94.95 102.39 14.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.565 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 35.3 p -70.88 174.62 5.9 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -172.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -66.98 -15.96 64.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.526 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -87.57 -12.32 46.07 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.366 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.6 28.77 37.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.211 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.76 146.59 34.71 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -100.43 113.83 26.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.05 151.03 34.98 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.55 118.65 48.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 pt -122.68 166.07 17.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.59 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 81.5 mtt180 -64.37 134.82 55.36 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -89.39 123.02 33.16 Favored 'General case' 0 C--N 1.284 -2.25 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.763 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.6 mtt180 -98.64 175.33 6.03 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 174.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -71.26 -13.17 61.81 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.17 0.509 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.73 -16.72 59.42 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.897 0.879 . . . . 0.0 110.851 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.463 ' HG3' HD11 ' A' ' 7' ' ' ILE . 1.2 mpt? -80.57 107.0 13.01 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -173.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -114.3 136.44 52.97 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.03 125.64 23.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 O-C-N 123.134 0.271 . . . . 0.0 110.274 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.72 -28.41 8.54 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.685 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -93.69 151.98 19.28 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 117.778 0.789 . . . . 0.0 112.974 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 64.5 tt0 -86.99 116.3 24.95 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.109 -0.951 . . . . 0.0 108.515 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -110.99 152.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -98.07 116.19 29.79 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 29.1 p90 -123.23 177.26 5.65 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.01 167.26 10.12 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -76.82 -23.84 52.76 Favored 'General case' 0 CA--C 1.491 -1.326 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.67 -22.53 66.53 Favored 'General case' 0 N--CA 1.416 -2.144 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.92 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 5.8 m-20 -86.63 -12.5 48.34 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 43' ' ' ASN . 45.4 mt -79.44 128.01 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-O 121.675 0.75 . . . . 0.0 110.485 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.304 -1.372 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.757 178.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m120 . . . . . 0 CA--C 1.514 -0.442 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -112.53 152.35 28.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -114.91 125.75 54.01 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.676 0.274 . . . . 0.0 110.267 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.91 156.46 26.76 Favored Glycine 0 CA--C 1.479 -2.167 0 C-N-CA 120.181 -1.009 . . . . 0.0 111.332 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.532 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.9 mt -99.76 130.12 49.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.96 103.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -86.19 -37.88 18.24 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.089 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -159.94 164.74 33.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 mm -120.05 139.96 45.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -127.91 74.59 1.55 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.65 -103.79 0.82 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.506 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 mmt -102.09 11.8 37.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.226 0.536 . . . . 0.0 110.765 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -117.89 159.77 22.54 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.13 142.38 50.23 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -97.74 113.23 31.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.2 128.04 63.97 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 tp -92.23 103.62 16.07 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.455 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 30.1 p -66.29 164.84 15.12 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.236 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -66.86 -4.59 9.69 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.431 0.634 . . . . 0.0 111.704 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.71 -10.46 40.08 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.861 0.864 . . . . 0.0 109.743 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 28.03 27.72 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.627 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -115.64 144.87 43.29 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -96.44 113.27 24.84 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -113.5 153.9 27.94 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.648 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -107.75 117.89 54.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.24 165.91 18.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.38 125.22 23.45 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.96 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -81.15 129.54 34.62 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.314 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -105.45 178.91 4.42 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -74.9 -18.59 60.39 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.6 t70 -87.8 -9.31 54.27 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.095 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.62 106.97 0.73 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.753 1.019 . . . . 0.0 113.753 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 42.6 mttp -115.23 136.68 52.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.05 122.81 20.0 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 120.622 0.249 . . . . 0.0 110.732 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.85 -22.51 11.56 Favored Glycine 0 N--CA 1.434 -1.469 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.977 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.7 pt20 -92.85 151.36 20.03 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.004 -0.679 . . . . 0.0 111.53 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 47.4 tt0 -89.29 126.85 35.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 175.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 m -117.5 146.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.21 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 m -91.02 115.71 28.22 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -124.2 167.2 14.6 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -102.68 158.54 16.17 Favored 'General case' 0 C--N 1.257 -3.434 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.626 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 10.9 m-80 -72.76 -15.54 61.66 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 122.501 1.143 . . . . 0.0 109.139 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.45 -20.55 59.98 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.107 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.36 -6.77 43.48 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 43' ' ' ASN . 89.5 mt -70.14 122.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.02 0.438 . . . . 0.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.238 0.475 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.841 -179.15 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.7 m120 . . . . . 0 C--O 1.241 0.649 0 CA-C-O 121.673 0.749 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -131.71 156.54 45.73 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -116.47 130.49 56.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.88 155.98 26.59 Favored Glycine 0 CA--C 1.479 -2.189 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.667 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -95.67 131.76 41.61 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.432 HD13 HG12 ' A' ' 17' ' ' VAL . 44.8 mm -65.43 101.63 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -83.49 -36.87 23.78 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.551 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -162.11 164.25 28.12 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.158 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -123.76 137.34 57.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.5 77.01 1.67 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.1 -104.93 1.05 Allowed Glycine 0 C--N 1.314 -0.669 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.96 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.1 mmt -99.1 5.08 47.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.201 0.524 . . . . 0.0 110.469 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 86.8 mttt -110.22 156.67 20.35 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.38 44.46 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.33 115.22 41.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 7' ' ' ILE . 1.8 m -106.35 129.52 59.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.318 0.58 . . . . 0.0 110.96 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.4 tp -95.38 104.78 16.69 Favored 'General case' 0 N--CA 1.41 -2.454 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.509 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 23.1 p -65.46 161.42 20.02 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -177.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -63.03 -14.8 52.55 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 123.611 0.764 . . . . 0.0 111.436 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -97.63 5.1 49.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.177 0.991 . . . . 0.0 110.516 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.13 32.86 47.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.23 -0.509 . . . . 0.0 114.078 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -115.92 133.47 55.99 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -92.24 121.05 33.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.6 mp -117.84 145.59 44.47 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.58 113.53 35.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 pt -120.0 170.01 10.31 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 CA-C-O 120.989 0.423 . . . . 0.0 110.788 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -68.15 128.61 37.17 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.437 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -82.54 121.17 26.44 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.4 mtt180 -88.93 174.31 8.0 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -78.22 -19.69 53.3 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.16 10.89 27.51 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.475 0.655 . . . . 0.0 111.065 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -70.21 107.4 3.69 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.438 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 4.2 mppt? -116.34 137.68 51.95 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.78 129.17 31.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 123.275 0.36 . . . . 0.0 110.232 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.0 -15.18 44.28 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.91 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 10.9 pt20 -93.85 147.33 23.17 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.959 -0.696 . . . . 0.0 111.798 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -88.1 118.03 27.39 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.26 153.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -104.68 116.15 31.54 Favored 'General case' 0 N--CA 1.412 -2.365 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 27.0 p90 -121.11 169.69 10.28 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.31 171.06 7.52 Favored 'General case' 0 C--N 1.272 -2.79 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.409 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.38 -14.03 62.39 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.915 0.864 . . . . 0.0 109.16 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -77.89 -13.34 59.92 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.848 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -9.24 36.75 Favored 'General case' 0 CA--C 1.495 -1.167 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.5 mt -78.17 126.61 38.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.886 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.453 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.591 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.211 -176.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.3 m120 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 121.29 0.567 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -115.96 159.07 22.1 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.28 137.12 48.44 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -155.72 155.47 26.3 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.216 176.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 27.3 mt -97.9 125.35 51.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.0 mm -63.53 105.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.08 -36.54 15.7 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.038 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -163.86 163.36 23.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -122.32 135.08 63.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 74.79 1.44 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.69 -101.08 0.81 Allowed Glycine 0 C--O 1.242 0.613 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.3 mmt -102.63 5.93 39.4 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.194 0.521 . . . . 0.0 109.806 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -112.83 156.02 23.63 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.25 142.14 45.9 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.02 122.61 48.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.04 128.72 73.24 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.072 0.463 . . . . 0.0 111.694 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.5 tp -88.52 102.16 14.65 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.495 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 29.7 p -72.13 174.55 7.0 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -65.33 -18.77 65.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.449 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -84.91 -10.14 57.4 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.665 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.24 15.68 78.03 Favored Glycine 0 C--O 1.22 -0.774 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.546 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -103.62 138.73 39.88 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -89.0 112.92 23.96 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.72 148.52 32.12 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.697 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.53 119.22 45.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 46' ' ' ILE . 45.7 pt -123.1 167.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.323 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -71.34 127.94 34.24 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.372 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -86.34 130.21 34.59 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.063 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.516 ' NH2' ' HA ' ' A' ' 41' ' ' PHE . 52.2 mtt180 -101.37 -175.02 2.74 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.36 -28.62 64.19 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.303 1.049 . . . . 0.0 109.227 178.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.96 8.24 18.35 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.463 -172.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.09 107.45 18.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 122.196 -0.315 . . . . 0.0 111.783 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.9 mttm -113.55 132.31 55.76 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.76 127.07 29.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.62 -27.47 8.36 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.538 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.7 pt20 -93.6 151.46 19.67 Favored 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.928 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 46.0 tt0 -86.95 123.67 32.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 174.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.92 159.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -99.58 121.55 41.36 Favored 'General case' 0 N--CA 1.411 -2.401 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 44.6 p90 -121.06 157.99 28.82 Favored 'General case' 0 CA--C 1.466 -2.272 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' ASN . 3.4 mm-40 -94.26 173.52 7.6 Favored 'General case' 0 C--N 1.248 -3.813 0 CA-C-O 121.455 0.645 . . . . 0.0 110.513 -178.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -24.84 59.54 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.8 -5.04 49.46 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.935 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -96.12 -26.56 15.44 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.999 0.428 . . . . 0.0 109.904 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.412 ' HA ' HG22 ' A' ' 27' ' ' ILE . 16.5 mt -65.4 136.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.055 0.542 . . . . 0.0 112.318 -172.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-O 122.051 0.929 . . . . 0.0 108.751 175.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 42' ' ' GLU . 12.4 m120 . . . . . 0 N--CA 1.449 -0.488 0 CA-C-O 121.647 0.737 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.487 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 10.5 tpt180 -140.09 157.18 46.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.3 mt -118.97 136.52 54.05 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -159.5 156.11 27.24 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.528 176.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 49.1 mt -95.16 131.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 C-N-CA 123.455 0.702 . . . . 0.0 109.793 -177.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.38 104.74 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -89.33 -32.42 17.34 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.343 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.84 162.5 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.03 140.39 48.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.431 HE22 HG23 ' A' ' 16' ' ' VAL . 2.0 mp0 -128.4 77.08 1.75 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 174.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.17 -100.78 0.6 Allowed Glycine 0 C--N 1.31 -0.911 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.861 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -105.65 15.77 26.4 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.097 0.475 . . . . 0.0 110.838 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.0 155.92 29.45 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.26 144.13 44.64 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.431 HG23 HE22 ' A' ' 11' ' ' GLN . 67.1 t -98.76 121.88 49.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 13.3 m -114.09 128.43 71.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.126 0.489 . . . . 0.0 110.987 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.4 tp -90.69 103.1 15.84 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.435 ' HB ' ' OE2' ' A' ' 21' ' ' GLU . 60.3 p -68.3 172.61 5.68 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.036 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -63.84 -21.04 66.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.646 0.736 . . . . 0.0 110.525 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE2' ' HB ' ' A' ' 19' ' ' THR . 1.7 mp0 -82.84 -8.57 59.57 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.351 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.18 28.89 47.72 Favored Glycine 0 N--CA 1.435 -1.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -112.23 146.16 38.65 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -96.58 112.63 24.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.701 0.762 . . . . 0.0 109.675 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.8 146.29 36.65 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.92 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.7 mm -103.56 121.61 55.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' A' ' 46' ' ' ILE . 27.6 pt -123.16 168.7 15.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -176.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 73.9 mtm180 -67.98 125.68 27.08 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.879 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -85.02 126.9 33.93 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.168 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 73.0 mtt85 -94.81 166.14 12.13 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.48 -22.49 66.75 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -91.95 3.91 54.16 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -76.28 107.48 8.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.581 0.229 . . . . 0.0 110.423 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 46.8 mtpt -113.59 145.81 40.68 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.47 136.22 26.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 C-N-CA 122.874 0.47 . . . . 0.0 111.177 -174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.01 -24.67 28.69 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.117 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 6.8 pt20 -94.18 154.93 17.32 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 122.681 -0.306 . . . . 0.0 111.767 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.7 tt0 -86.87 132.9 33.69 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.75 151.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 120.899 0.38 . . . . 0.0 110.164 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -99.84 115.68 30.16 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 37.7 p90 -128.97 173.9 10.0 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 2' ' ' ASN . 3.2 mm-40 -107.2 170.77 7.76 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 121.292 0.568 . . . . 0.0 110.953 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.39 -25.21 61.41 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.647 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.78 -12.96 60.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.428 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -93.62 -14.48 26.42 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 122.135 -0.353 . . . . 0.0 110.792 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.436 ' HA ' HG22 ' A' ' 27' ' ' ILE . 8.9 mt -78.78 127.16 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 120.956 0.408 . . . . 0.0 110.159 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.401 ' CE1' ' HG2' ' A' ' 28' ' ' ARG . 4.6 m-85 . . . . . 0 C--N 1.295 -1.787 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 m120 . . . . . 0 CA--C 1.51 -0.574 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 5.9 tpt180 -130.87 159.06 38.48 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.72 129.25 54.42 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 123.374 0.421 . . . . 0.0 109.981 -177.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.537 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.29 156.83 26.92 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 120.003 -1.094 . . . . 0.0 112.266 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 60.7 mt -94.11 128.59 45.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mm -63.58 104.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -86.49 -36.11 19.21 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.72 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -162.98 160.19 24.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -118.81 138.99 47.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 C-N-CA 123.3 0.64 . . . . 0.0 109.487 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.447 HE22 HG23 ' A' ' 16' ' ' VAL . 1.4 mp0 -125.0 76.81 1.56 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.66 -101.27 0.56 Allowed Glycine 0 C--O 1.248 0.98 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.699 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mmt -103.13 6.52 38.52 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.926 0.393 . . . . 0.0 111.21 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 89.4 mttt -109.51 158.34 18.09 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.7 145.6 44.91 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.447 HG23 HE22 ' A' ' 11' ' ' GLN . 91.8 t -97.87 120.78 47.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 175.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.01 129.54 67.29 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 tp -95.45 103.45 15.32 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 66.8 p -66.32 171.07 5.14 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.976 0.417 . . . . 0.0 112.038 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -64.85 -16.51 63.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.621 0.724 . . . . 0.0 109.963 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.78 -10.38 51.17 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.213 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.39 36.69 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.411 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -106.6 144.18 33.64 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -101.57 113.18 26.09 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -116.9 147.33 42.3 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.28 127.2 51.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 pt -129.24 168.38 22.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-O 120.893 0.378 . . . . 0.0 110.976 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.487 ' HD2' ' OD1' ' A' ' 45' ' ' ASP . 65.1 mtt180 -64.94 126.06 26.83 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -85.09 130.35 34.63 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.47 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 94.4 mtt180 -98.31 168.07 10.45 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.82 -12.46 61.64 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -98.44 3.15 48.32 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.294 0.569 . . . . 0.0 111.2 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -78.79 116.08 18.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mppt? -117.33 150.14 39.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.07 132.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 C-N-CA 122.667 0.387 . . . . 0.0 110.566 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.63 -21.02 35.56 Favored Glycine 0 C--N 1.314 -0.642 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.716 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.3 pt20 -93.25 146.5 23.65 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 120.269 -0.573 . . . . 0.0 111.876 -177.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 33.6 tt0 -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.09 162.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 122.662 0.385 . . . . 0.0 109.985 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p -107.88 127.12 53.45 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 29.2 p90 -131.81 168.76 17.25 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -109.86 166.93 10.54 Favored 'General case' 0 C--N 1.288 -2.087 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.133 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.533 HD22 HD12 ' A' ' 46' ' ' ILE . 4.9 m120 -60.15 -30.16 69.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.733 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.13 -26.06 61.97 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.165 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.487 ' OD1' ' HD2' ' A' ' 28' ' ' ARG . 39.3 m-20 -78.72 -15.87 57.93 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.533 HD12 HD22 ' A' ' 43' ' ' ASN . 58.9 mt -74.82 114.06 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-O 121.701 0.763 . . . . 0.0 111.499 -176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.307 -1.272 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.923 -178.539 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 CA--C 1.503 -0.852 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.524 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 1.2 tpt180 -121.47 148.05 44.96 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -112.67 131.47 55.63 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -156.59 156.12 26.89 Favored Glycine 0 N--CA 1.425 -2.054 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.768 177.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.3 mt -96.21 130.66 44.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.428 HD13 HG12 ' A' ' 17' ' ' VAL . 39.9 mm -66.67 103.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -83.92 -39.37 19.89 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.264 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -162.12 163.85 28.33 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mm -119.62 138.01 51.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.82 73.88 1.04 Allowed 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.72 -101.49 0.41 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.443 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 mmt -98.61 7.49 46.06 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.439 0.638 . . . . 0.0 110.511 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -120.17 156.32 31.34 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.29 144.82 51.56 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.97 113.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 7.6 m -107.87 131.22 58.75 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.083 0.468 . . . . 0.0 111.431 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -93.14 102.27 14.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.1 p -70.32 170.57 11.53 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.366 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -64.22 -14.92 58.62 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.487 0.661 . . . . 0.0 110.939 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.55 -13.02 55.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.282 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.56 25.53 38.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.654 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -111.18 148.5 32.63 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -102.28 112.72 25.52 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.69 154.8 25.56 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.903 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -103.39 118.46 50.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 46' ' ' ILE . 24.4 pt -122.42 166.29 17.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-O 120.659 0.266 . . . . 0.0 110.607 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 98.5 mtt180 -65.64 126.07 27.23 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -85.33 122.68 29.84 Favored 'General case' 0 N--CA 1.419 -1.998 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.614 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -94.34 164.72 12.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -71.94 -8.41 54.31 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.221 0.534 . . . . 0.0 111.789 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -79.62 -18.84 50.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.379 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.89 112.25 6.93 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.776 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -113.58 138.52 50.05 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.77 127.9 26.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.077 0.465 . . . . 0.0 111.459 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.08 -17.45 44.51 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 114.239 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -93.72 148.21 22.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.873 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 61.8 tt0 -82.83 120.18 25.32 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -111.33 153.91 13.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.586 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -106.56 115.4 30.14 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.6 p90 -128.84 171.48 12.23 Favored 'General case' 0 CA--C 1.47 -2.108 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -178.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -101.02 166.38 10.84 Favored 'General case' 0 C--N 1.273 -2.753 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.76 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.83 -14.15 61.89 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.759 0.79 . . . . 0.0 110.255 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -70.96 -30.61 66.93 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.719 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 3.4 m-20 -73.41 -22.56 60.2 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.673 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.414 ' HA ' HG22 ' A' ' 27' ' ' ILE . 62.4 mt -70.31 115.78 10.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 CA-C-O 121.875 0.845 . . . . 0.0 111.444 -176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 2.9 m-85 . . . . . 0 CA--C 1.502 -0.894 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.415 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.0 m120 . . . . . 0 N--CA 1.444 -0.735 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -118.28 159.29 23.63 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.48 132.46 55.22 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 117.863 0.301 . . . . 0.0 110.839 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.96 157.21 28.26 Favored Glycine 0 CA--C 1.483 -1.967 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.976 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 43.7 mt -98.04 131.55 44.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 46.8 mm -68.11 111.41 2.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.537 0.684 . . . . 0.0 109.798 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -86.28 -38.72 17.25 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 114.098 -1.41 . . . . 0.0 109.567 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -159.29 162.84 36.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.458 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.422 HG12 HG22 ' A' ' 35' ' ' VAL . 13.3 mm -126.9 132.91 69.53 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -135.85 85.64 2.17 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 -118.09 9.05 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.7 11.75 32.29 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 120.998 0.428 . . . . 0.0 110.882 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -116.27 159.42 21.89 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.48 152.82 47.3 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.193 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.03 121.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 2.8 m -109.83 130.58 62.73 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.38 102.37 14.17 Favored 'General case' 0 N--CA 1.414 -2.241 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 170.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.492 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.9 p -70.11 173.57 6.44 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.086 0.47 . . . . 0.0 112.109 -173.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -64.44 -16.07 61.75 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.514 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -86.1 -8.02 58.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.446 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.72 30.65 38.77 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.647 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -114.96 145.91 41.74 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 m-85 -101.24 113.53 26.67 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 mp -114.63 144.1 43.96 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.067 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -90.73 117.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HG12 ' A' ' 46' ' ' ILE . 14.2 pt -125.47 170.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -83.36 131.67 35.04 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.418 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.721 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 32.4 ttt180 -73.69 134.99 43.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.641 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.18 175.26 5.79 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.55 -33.5 72.86 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -173.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 20.1 t70 -87.78 -10.02 52.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.595 0.712 . . . . 0.0 110.479 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.721 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 34.6 ttm -67.23 106.56 2.07 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.97 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 28.4 mttp -116.75 155.37 29.02 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 40.8 t -69.92 140.16 19.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.302 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.68 -25.33 27.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.24 -0.505 . . . . 0.0 114.124 174.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -94.04 154.26 17.73 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.043 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 26.8 tt0 -88.46 130.08 35.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -120.36 153.73 23.45 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 m -98.61 115.86 29.56 Favored 'General case' 0 N--CA 1.407 -2.603 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.2 p90 -123.82 168.3 12.92 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HB3' ' CD ' ' A' ' 44' ' ' GLU . 1.8 mp0 -106.26 166.53 10.46 Favored 'General case' 0 C--N 1.273 -2.721 0 O-C-N 123.429 0.455 . . . . 0.0 110.673 -177.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.55 -23.12 46.31 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 1.7 mp0 -64.91 -19.55 65.98 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 113.662 -1.608 . . . . 0.0 110.366 173.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -96.06 -12.95 24.11 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.705 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.447 HG12 HG22 ' A' ' 27' ' ' ILE . 57.6 mt -79.14 117.38 24.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.599 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--N 1.311 -1.093 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.698 -178.727 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 CA--C 1.512 -0.507 0 CA-C-O 121.345 0.593 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -130.75 158.61 39.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 178.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.29 143.69 47.21 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -166.04 156.2 27.95 Favored Glycine 0 N--CA 1.426 -1.971 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.974 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 47.0 mt -95.82 129.93 45.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 34.1 mm -67.4 104.98 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.565 0.697 . . . . 0.0 109.444 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -87.63 -35.5 18.01 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.832 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -162.53 165.06 26.56 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -130.89 139.47 51.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 123.818 0.847 . . . . 0.0 109.181 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -136.96 82.87 1.96 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.31 -121.19 8.85 Favored Glycine 0 N--CA 1.424 -2.145 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 83.1 mtp -100.05 26.13 6.73 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.492 0.663 . . . . 0.0 110.32 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -118.76 148.03 43.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.8 146.56 50.88 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.327 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -99.64 113.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.5 128.91 60.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.615 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -92.01 102.18 14.74 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 104.718 -2.326 . . . . 0.0 104.718 171.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 71.2 p -67.59 174.86 3.18 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -172.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -69.46 -6.68 31.97 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.189 0.995 . . . . 0.0 110.999 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -96.79 -6.83 35.21 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.187 176.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.94 59.66 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.533 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -111.01 145.05 39.15 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.845 0.323 . . . . 0.0 110.13 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -93.88 118.68 31.79 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mp -122.1 145.43 48.18 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.116 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 mm -93.78 120.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.452 HG22 ' HA ' ' A' ' 46' ' ' ILE . 36.1 pt -127.16 166.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.62 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -64.87 128.55 36.25 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.82 118.35 28.46 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.38 -179.05 5.11 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -78.55 -10.98 59.93 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.467 0.651 . . . . 0.0 110.294 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.8 -9.16 59.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.57 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -89.66 106.66 18.61 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 121.223 0.535 . . . . 0.0 111.444 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -114.29 143.44 44.86 Favored 'General case' 0 N--CA 1.422 -1.872 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.438 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 3.1 t -68.21 133.98 30.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 CA-C-O 121.255 0.55 . . . . 0.0 111.342 -175.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.23 -25.2 28.58 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.577 -0.738 . . . . 0.0 114.107 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -93.92 158.99 15.38 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.692 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.9 tt0 -89.57 128.7 36.06 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.56 161.52 23.6 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -111.73 132.21 54.79 Favored 'General case' 0 N--CA 1.401 -2.906 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.2 p90 -132.62 173.39 11.39 Favored 'General case' 0 C--N 1.267 -3.0 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.6 166.79 10.53 Favored 'General case' 0 C--N 1.266 -3.028 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 5.6 m-80 -72.41 -23.67 61.12 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 122.286 1.041 . . . . 0.0 109.137 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -67.34 -25.59 66.07 Favored 'General case' 0 N--CA 1.409 -2.515 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.429 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.69 -14.4 45.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' HA ' HG22 ' A' ' 27' ' ' ILE . 58.3 mt -74.57 128.96 36.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-O 121.33 0.586 . . . . 0.0 109.994 -177.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.304 -1.392 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.306 177.655 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 7.4 m120 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 121.09 0.471 . . . . 0.0 111.619 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -130.06 157.77 41.48 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -116.5 122.66 45.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 117.78 0.264 . . . . 0.0 110.658 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.19 156.45 26.81 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.903 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 65.9 mt -95.59 130.38 44.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 29.8 mm -68.77 102.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-O 121.81 0.815 . . . . 0.0 109.498 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.0 -41.89 22.03 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 113.973 -1.467 . . . . 0.0 109.075 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -160.8 147.39 15.19 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.479 HD12 ' HG3' ' A' ' 29' ' ' ARG . 26.9 mm -111.94 133.43 57.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.519 HE22 HG23 ' A' ' 16' ' ' VAL . 3.4 mp0 -120.82 75.03 1.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.76 -100.84 0.95 Allowed Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.044 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.3 mtp -109.0 11.04 26.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.641 0.257 . . . . 0.0 111.299 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -112.21 155.99 23.08 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.4 41.48 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.637 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.519 HG23 HE22 ' A' ' 11' ' ' GLN . 85.8 t -100.12 113.67 36.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 7' ' ' ILE . 2.1 m -107.17 127.56 62.81 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 121.125 0.488 . . . . 0.0 110.992 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -94.38 106.28 18.25 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 174.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 37.6 p -65.38 164.7 13.19 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.023 0.439 . . . . 0.0 112.138 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -60.9 -17.55 51.35 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.925 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -91.85 -20.04 21.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.168 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.28 34.07 3.5 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 119.888 -1.149 . . . . 0.0 113.941 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.15 147.29 35.23 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -103.93 116.73 32.8 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -116.92 143.75 45.34 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.7 mm -95.74 120.65 45.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' HA ' ' A' ' 46' ' ' ILE . 40.8 pt -124.31 170.89 13.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 34.7 mtm180 -74.6 128.43 35.53 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.561 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 9.7 ttt180 -78.71 125.68 29.7 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -85.36 163.15 18.72 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -72.65 -14.32 61.56 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -110.5 9.57 23.21 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 122.025 0.917 . . . . 0.0 109.985 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 36.5 ttm -78.93 118.05 20.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.97 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -113.89 151.64 31.92 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.045 0.538 . . . . 0.0 110.847 -176.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 7.4 t -75.72 142.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.251 0.62 . . . . 0.0 111.259 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.05 15.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.865 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -92.79 157.5 16.38 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.497 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.2 tt0 -89.64 119.45 30.07 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 176.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -111.72 152.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.07 -175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 m -94.9 116.1 28.29 Favored 'General case' 0 N--CA 1.404 -2.737 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 172.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.5 p90 -120.44 172.99 7.43 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -108.67 166.17 11.0 Favored 'General case' 0 C--N 1.275 -2.634 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.185 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.88 -24.12 58.5 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.11 -18.71 64.01 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-N 113.823 -1.535 . . . . 0.0 111.064 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 29.7 m-20 -86.1 -17.07 36.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 122.086 -0.384 . . . . 0.0 110.739 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.42 ' HA ' HG22 ' A' ' 27' ' ' ILE . 62.9 mt -68.8 126.01 27.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.225 0.536 . . . . 0.0 110.986 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.562 0.696 . . . . 0.0 111.482 -177.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 2.8 m120 . . . . . 0 CA--C 1.505 -0.787 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.593 ' NH1' ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -113.33 156.1 23.98 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 172.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -117.41 131.99 56.66 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 -175.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.82 156.26 26.61 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.236 -0.983 . . . . 0.0 111.766 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.7 mt -95.51 131.09 43.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 30.4 mm -65.03 106.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -90.16 -33.93 16.04 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.655 -176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -163.98 166.27 21.73 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.29 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 mm -125.27 135.35 64.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 C-N-CA 123.295 0.638 . . . . 0.0 109.32 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.55 74.13 1.1 Allowed 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.13 -101.28 0.47 Allowed Glycine 0 C--O 1.244 0.755 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.309 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -98.1 4.07 49.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.338 0.589 . . . . 0.0 110.756 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -114.86 155.21 27.23 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.17 144.73 50.87 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.19 117.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m -109.86 130.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.209 0 CA-C-O 120.926 0.393 . . . . 0.0 110.784 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -94.22 104.08 16.1 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 172.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.51 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 42.9 p -67.62 171.91 5.77 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.667 -173.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -66.64 -14.53 62.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.616 0.722 . . . . 0.0 110.349 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -89.52 -10.02 47.77 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.859 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 26.2 43.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.157 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -111.71 140.98 45.88 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.26 148.68 32.35 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.301 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.8 mm -102.79 117.83 48.78 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.2 pt -124.82 167.05 19.42 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.182 0 CA-C-O 120.78 0.324 . . . . 0.0 111.175 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 62.1 mtm180 -64.8 124.68 22.61 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.519 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -86.01 130.37 34.56 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.426 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -103.48 163.3 12.37 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.13 -18.68 64.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HD3' ' A' ' 34' ' ' LYS . 15.9 t70 -80.45 -15.72 56.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.711 0.291 . . . . 0.0 111.365 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.55 107.89 2.66 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 3.1 mppt? -113.41 149.1 34.63 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.407 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 t -71.12 134.57 29.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.89 -22.86 29.06 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.953 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -93.21 152.42 19.22 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.551 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 32.2 tt0 -89.23 124.52 34.45 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.31 148.6 18.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 120.967 0.413 . . . . 0.0 111.226 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -94.37 118.28 31.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 35.9 p90 -125.78 166.22 17.22 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.4 170.35 7.94 Favored 'General case' 0 C--N 1.272 -2.776 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.01 -27.53 66.63 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.31 -23.78 67.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.918 176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 15.3 m-20 -79.65 -22.54 43.43 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.281 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.48 115.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 CA-C-O 121.512 0.672 . . . . 0.0 111.224 -175.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 . . . . . 0 C--N 1.309 -1.192 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.937 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 CA--C 1.504 -0.789 0 CA-C-O 120.77 0.319 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -120.53 153.56 36.54 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -113.94 134.85 54.56 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -155.01 155.98 26.6 Favored Glycine 0 N--CA 1.428 -1.862 0 C-N-CA 120.325 -0.941 . . . . 0.0 111.31 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 52.3 mt -95.1 130.89 43.26 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.22 104.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -84.73 -37.34 21.01 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.542 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -164.01 164.74 22.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mm -120.63 139.12 48.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 C-N-CA 122.85 0.46 . . . . 0.0 109.934 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.41 74.56 1.06 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 -102.99 0.81 Allowed Glycine 0 C--N 1.312 -0.75 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.4 mtp -106.32 18.24 22.28 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.599 0.714 . . . . 0.0 110.529 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -118.74 158.42 25.59 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.17 144.65 45.11 Favored 'General case' 0 C--N 1.288 -2.095 0 CA-C-O 120.563 0.22 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.36 114.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -108.43 125.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 55.5 tp -89.54 102.28 14.96 Favored 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.459 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.6 p -66.53 167.86 10.13 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.664 -174.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -68.86 -5.03 18.62 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.48 0.657 . . . . 0.0 110.318 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.52 -11.22 30.0 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.41 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.89 27.64 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.291 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 30.7 mt-10 -115.81 154.57 29.42 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.49 113.07 26.43 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mp -115.28 144.42 43.76 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.791 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -93.89 122.24 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.413 HG22 ' HA ' ' A' ' 46' ' ' ILE . 15.6 pt -126.4 171.43 15.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 132.85 48.02 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 174.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -86.27 122.15 29.86 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 119.244 -0.982 . . . . 0.0 108.957 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.678 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 72.2 mtt180 -88.95 172.79 8.88 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -73.32 -9.28 58.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -168.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -115.89 8.4 14.72 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.605 0.717 . . . . 0.0 112.0 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.678 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -70.64 108.71 4.51 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.378 -179.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -113.82 144.14 43.5 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 108.561 -0.904 . . . . 0.0 108.561 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.8 123.71 21.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-O 121.027 0.441 . . . . 0.0 111.378 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.21 -23.62 10.47 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.248 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -93.31 156.97 16.48 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.784 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 52.4 tt0 -91.47 118.77 30.85 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.51 149.34 13.45 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.176 0.512 . . . . 0.0 111.264 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 p -96.46 116.25 28.75 Favored 'General case' 0 N--CA 1.415 -2.198 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.507 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -125.04 170.68 10.92 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -103.12 163.86 11.97 Favored 'General case' 0 C--N 1.273 -2.745 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.37 -14.78 61.81 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.287 0.565 . . . . 0.0 110.159 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.65 -29.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.092 174.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.39 -13.67 59.88 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.414 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HA ' HG22 ' A' ' 27' ' ' ILE . 83.4 mt -68.11 118.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 121.4 0.619 . . . . 0.0 110.574 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.303 -177.153 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.239 0.552 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.588 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.7 tpt180 -143.39 155.69 44.48 Favored 'General case' 0 C--N 1.29 -2.011 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -111.18 130.31 55.68 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.497 0.498 . . . . 0.0 110.338 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.61 155.76 26.42 Favored Glycine 0 N--CA 1.428 -1.844 0 C-N-CA 119.966 -1.112 . . . . 0.0 111.806 177.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 40.2 mt -95.11 128.15 46.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.7 101.03 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -85.76 -34.93 21.05 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.837 -176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.69 159.82 30.74 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -121.43 134.27 65.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.32 73.5 1.05 Allowed 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.04 -100.66 0.35 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.731 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 mmt -95.74 1.69 53.51 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.34 0.656 . . . . 0.0 110.609 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -112.07 157.13 21.15 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.94 140.68 44.19 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.7 119.54 43.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 m -109.68 129.24 64.9 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-O 121.234 0.54 . . . . 0.0 110.946 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -93.82 102.82 14.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.505 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 40.5 p -68.22 168.99 11.2 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.4 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -68.86 -8.88 47.94 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.466 0.651 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' CD ' HH21 ' A' ' 3' ' ' ARG . 25.9 mt-10 -88.2 -15.52 35.76 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.969 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.74 22.18 31.75 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.532 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -110.03 145.65 36.67 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -98.71 116.15 30.3 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.27 148.08 41.98 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 mm -98.37 124.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' HA ' ' A' ' 46' ' ' ILE . 30.9 pt -125.86 169.13 17.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -69.75 128.16 35.47 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -87.64 124.85 33.97 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 81.2 mtt180 -92.69 169.75 10.25 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -77.07 -7.2 55.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.654 0.74 . . . . 0.0 110.631 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.88 -6.95 53.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.472 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.42 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -73.98 121.14 20.55 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.388 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.1 mttm -120.22 139.92 51.95 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 175.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -69.21 133.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.22 -23.71 32.49 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.39 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.2 pt20 -93.21 148.69 21.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 118.095 0.947 . . . . 0.0 112.367 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.1 tt0 -83.22 121.51 27.19 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -116.23 161.57 14.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.255 -175.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 120.4 41.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 28.9 p90 -122.17 173.91 7.29 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -107.65 168.82 8.99 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-O 120.996 0.426 . . . . 0.0 110.049 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.2 -24.18 59.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.557 0.694 . . . . 0.0 110.709 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.31 -10.9 59.87 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.484 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -90.36 -21.44 21.98 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.456 ' HA ' HG22 ' A' ' 27' ' ' ILE . 50.9 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.64 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.318 -0.788 0 CA-C-O 122.022 0.915 . . . . 0.0 110.645 -178.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.8 m120 . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 121.157 0.503 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 12.3 tpt180 -146.84 151.02 36.41 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 174.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.91 125.71 53.95 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 123.142 0.276 . . . . 0.0 110.657 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.96 156.18 26.56 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 119.63 -1.271 . . . . 0.0 111.805 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.2 mt -95.16 130.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.42 HD13 HG12 ' A' ' 17' ' ' VAL . 30.9 mm -67.98 104.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.34 -35.55 27.76 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.536 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -164.39 158.77 18.93 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.431 HG12 HG22 ' A' ' 35' ' ' VAL . 25.0 mm -114.33 143.58 23.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.58 76.49 1.71 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.76 -109.67 3.01 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.4 mtp -106.07 16.4 25.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.704 0.764 . . . . 0.0 110.083 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -111.54 159.34 18.21 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.58 143.22 47.24 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -99.39 113.08 33.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 3.5 m -104.54 134.51 45.69 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.037 0 CA-C-O 121.065 0.46 . . . . 0.0 111.034 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.03 102.6 14.4 Favored 'General case' 0 N--CA 1.407 -2.59 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 64.5 p -69.86 167.42 17.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.656 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -58.62 -24.68 61.56 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.259 0.552 . . . . 0.0 111.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.95 -19.82 60.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.89 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.09 24.17 15.53 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -106.16 144.79 32.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 42.5 m-85 -101.98 113.31 26.43 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mp -112.6 146.28 38.87 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.451 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.89 120.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' A' ' 46' ' ' ILE . 26.2 pt -125.92 163.99 26.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.5 131.47 46.11 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -89.51 125.62 35.26 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -99.9 175.25 5.84 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -67.24 -22.96 65.66 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.91 7.51 36.92 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -88.95 114.17 25.28 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 57.7 mtpt -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG22 HG12 ' A' ' 10' ' ' ILE . 24.4 t -65.26 131.49 31.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-O 120.867 0.365 . . . . 0.0 111.048 -177.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.67 -27.19 18.79 Favored Glycine 0 N--CA 1.432 -1.618 0 C-N-CA 121.226 -0.512 . . . . 0.0 113.828 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.6 pt20 -93.7 158.04 15.87 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.429 0.615 . . . . 0.0 112.003 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.464 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 60.3 tt0 -93.77 121.66 35.45 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.5 m -115.39 156.34 16.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.987 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.007 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -102.44 116.11 31.95 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 26.5 p90 -120.26 173.84 6.88 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -109.2 167.97 9.72 Favored 'General case' 0 C--N 1.274 -2.697 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.512 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.04 -22.06 64.98 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.748 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -75.69 -15.36 60.31 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.58 177.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -89.49 -19.45 25.06 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' A' ' 27' ' ' ILE . 14.8 mt -76.09 121.1 27.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-O 121.071 0.462 . . . . 0.0 111.399 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.32 -0.694 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 22.3 m120 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 121.257 0.551 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.521 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -117.42 152.42 35.02 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.18 130.74 57.0 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.2 155.97 26.53 Favored Glycine 0 CA--C 1.481 -2.091 0 C-N-CA 119.88 -1.152 . . . . 0.0 111.83 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 56.3 mt -94.67 127.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.471 HD11 ' HG3' ' A' ' 33' ' ' MET . 34.8 mm -65.32 106.56 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -83.17 -40.3 19.9 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.118 -1.401 . . . . 0.0 109.55 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -165.61 160.33 17.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.02 139.51 39.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 74.72 1.34 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.05 -104.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.4 mmt -103.75 8.73 37.26 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.149 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 50.7 mtmt -110.27 159.06 17.74 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.46 141.43 45.36 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -96.22 114.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.505 HG23 ' HB2' ' A' ' 25' ' ' LEU . 4.2 m -106.91 131.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.828 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.51 102.27 14.03 Favored 'General case' 0 N--CA 1.409 -2.498 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.444 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 28.6 p -65.91 168.12 8.57 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.476 -174.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 p -65.23 -13.95 59.53 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.532 0.682 . . . . 0.0 110.923 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -86.26 -9.07 57.19 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.185 0.994 . . . . 0.0 110.782 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.26 23.65 43.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.835 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -111.87 144.66 40.83 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -97.63 113.04 24.69 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.9 mp -109.93 146.38 35.28 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -98.15 120.44 47.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 46' ' ' ILE . 32.3 pt -124.83 171.1 14.12 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-O 120.806 0.336 . . . . 0.0 110.462 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -76.48 132.85 39.83 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -89.87 126.17 35.61 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -73.97 -11.25 60.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 110.371 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.68 -12.8 59.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.948 0.899 . . . . 0.0 110.958 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.471 ' HG3' HD11 ' A' ' 7' ' ' ILE . 1.9 mpt? -95.49 113.02 24.63 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 120.986 0.422 . . . . 0.0 112.022 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 62.5 mtpt -132.66 144.64 50.47 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.41 128.73 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.998 -173.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 -28.79 9.5 Favored Glycine 0 N--CA 1.435 -1.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.979 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.9 pt20 -93.45 156.79 16.55 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.866 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.6 tt0 -88.82 126.57 35.42 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -114.84 162.4 12.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.79 122.37 47.47 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 27.4 p90 -136.35 169.18 18.09 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.88 175.94 5.32 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -28.22 63.84 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.855 178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -70.57 -18.01 62.91 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.223 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.73 -20.51 39.21 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' HA ' HG22 ' A' ' 27' ' ' ILE . 22.1 mt -74.03 129.36 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.735 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.296 -1.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.941 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 12.3 m120 . . . . . 0 CA--C 1.496 -1.099 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.0 tpt180 -115.52 154.37 29.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.5 mt -109.97 133.6 53.01 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.27 156.11 26.63 Favored Glycine 0 CA--C 1.483 -1.929 0 C-N-CA 120.212 -0.994 . . . . 0.0 111.983 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.3 mt -97.24 128.82 48.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.459 HD13 HG12 ' A' ' 17' ' ' VAL . 30.2 mm -65.32 105.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -89.03 -35.22 16.49 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.488 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -164.51 168.04 18.76 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -174.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.426 HG21 ' NH1' ' A' ' 29' ' ' ARG . 26.2 mm -124.56 141.25 45.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -129.93 74.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 123.171 0.588 . . . . 0.0 109.795 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.55 -111.26 3.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 7.7 mmt -98.13 10.76 39.72 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.644 0.735 . . . . 0.0 110.567 178.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 91.5 mttt -114.82 159.08 21.04 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.25 149.51 50.96 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.5 115.4 44.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 HD13 ' A' ' 7' ' ' ILE . 6.6 m -108.93 128.52 64.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.086 0.47 . . . . 0.0 111.424 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 tp -91.24 102.08 14.8 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.522 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 20.7 p -66.37 166.7 11.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.28 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -69.59 -5.41 24.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.827 0.822 . . . . 0.0 110.195 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.82 -1.48 40.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.3 20.47 62.41 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.29 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -115.59 145.57 42.55 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 117.891 0.846 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -92.99 113.03 25.2 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.12 141.17 44.97 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-O 120.864 0.364 . . . . 0.0 110.245 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -92.75 117.39 36.03 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.89 170.06 16.44 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.934 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -65.89 128.84 37.61 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.624 0.577 . . . . 0.0 109.678 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' NH1' HG21 ' A' ' 10' ' ' ILE . 12.1 ttt180 -84.05 125.53 32.19 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.561 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 3.0 mpt_? -91.96 165.11 13.38 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.9 -31.34 72.38 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -85.88 0.21 53.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.35 107.6 1.39 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.958 0.408 . . . . 0.0 111.785 -179.23 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OE1' ' A' ' 37' ' ' GLN . 35.4 mtmm -113.42 141.66 46.82 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 t -72.89 130.23 35.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 123.368 0.418 . . . . 0.0 110.648 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.88 -23.69 12.79 Favored Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 116.145 -0.479 . . . . 0.0 113.67 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 13.7 pt20 -94.11 153.31 18.19 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 122.313 -0.521 . . . . 0.0 112.297 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.0 tt0 -88.7 126.39 35.29 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 174.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.62 162.54 16.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.918 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -109.66 125.48 52.66 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.6 p90 -132.03 164.67 25.69 Favored 'General case' 0 CA--C 1.483 -1.61 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -103.16 169.29 8.64 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 123.773 0.671 . . . . 0.0 109.863 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.28 -20.89 60.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 120.897 0.379 . . . . 0.0 111.555 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.94 -35.26 80.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.937 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 30' ' ' ARG . 3.6 m-20 -82.46 -7.9 59.63 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.199 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.1 mt -75.78 119.57 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-O 121.507 0.67 . . . . 0.0 110.037 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.524 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 9.3 m-85 . . . . . 0 C--N 1.304 -1.384 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.823 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.0 m120 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 121.019 0.437 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 6.1 tpt180 -119.1 156.27 30.05 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.5 mt -107.96 132.54 53.4 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.79 155.35 26.22 Favored Glycine 0 CA--C 1.477 -2.307 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.789 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 16.0 mt -100.3 130.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.252 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.38 105.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 121.445 0.64 . . . . 0.0 109.557 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -86.3 -37.44 18.54 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.244 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -162.29 158.02 23.65 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.609 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mm -112.87 137.09 47.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 75.06 1.3 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.31 -110.75 3.44 Favored Glycine 0 C--O 1.245 0.81 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.4 mtp -104.26 17.85 23.29 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.437 0.637 . . . . 0.0 110.372 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 57.3 mttp -118.29 162.37 18.38 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.29 146.89 45.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 120.651 0.262 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.72 115.65 39.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -109.73 130.31 63.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 CA-C-O 121.058 0.456 . . . . 0.0 111.762 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 56.3 tp -90.16 102.24 14.96 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 170.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.476 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 36.0 p -74.49 174.45 8.93 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.8 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -65.46 -11.71 45.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.063 0.945 . . . . 0.0 110.125 174.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.86 -10.52 45.01 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.752 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.97 14.77 80.26 Favored Glycine 0 C--O 1.24 0.513 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -104.85 141.71 36.03 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 43.7 m-85 -95.56 113.4 25.04 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.8 mp -109.63 150.6 28.0 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.091 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mm -100.93 113.76 37.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 46' ' ' ILE . 44.5 pt -123.2 170.55 13.33 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.229 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.35 134.12 50.9 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -85.05 129.36 34.81 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.5 mtt180 -101.98 -176.13 3.04 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -74.49 -33.33 62.8 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.899 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -82.4 11.0 6.01 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.725 0.774 . . . . 0.0 112.095 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -76.52 107.43 8.8 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.437 -0.789 . . . . 0.0 110.273 178.461 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HE3' ' NE2' ' A' ' 37' ' ' GLN . 30.4 mtmt -125.7 131.86 52.5 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 t -61.93 120.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 120.916 0.389 . . . . 0.0 110.968 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 -28.09 8.19 Favored Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.716 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -94.42 160.4 14.68 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 51.8 tt0 -95.73 125.92 40.64 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.714 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.18 152.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.475 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m -98.9 115.86 29.82 Favored 'General case' 0 N--CA 1.413 -2.284 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 50.9 p90 -121.1 172.65 7.81 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.45 175.72 5.32 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 121.176 0.512 . . . . 0.0 111.384 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -21.82 60.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.783 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.64 -28.67 62.88 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.914 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -12.62 59.09 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.341 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 27' ' ' ILE . 25.6 mt -75.46 122.8 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 CA-C-O 121.267 0.555 . . . . 0.0 110.127 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.5 m-85 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.488 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.604 ' ND2' ' HG3' ' A' ' 42' ' ' GLU . 7.2 m120 . . . . . 0 N--CA 1.433 -1.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -139.35 156.48 46.98 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -122.97 132.05 53.98 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.04 155.65 26.32 Favored Glycine 0 CA--C 1.477 -2.306 0 C-N-CA 119.74 -1.219 . . . . 0.0 111.903 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 59.9 mt -95.1 129.91 44.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.517 HD11 ' HG3' ' A' ' 33' ' ' MET . 41.2 mm -66.74 108.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -88.37 -34.25 17.66 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.507 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -164.58 153.8 13.3 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -118.15 144.98 24.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.53 74.65 1.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 175.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.5 -103.18 0.98 Allowed Glycine 0 N--CA 1.439 -1.127 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 mtp -105.78 16.18 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.252 0.549 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -114.32 153.41 29.82 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.99 140.64 42.3 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.5 t -96.34 113.15 29.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -105.49 128.54 59.44 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.465 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.0 tp -94.11 101.93 13.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 170.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.522 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 33.0 p -63.56 168.29 4.84 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.131 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -66.69 -14.41 62.47 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.502 0.668 . . . . 0.0 110.37 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.42 -1.27 57.63 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.467 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 29.34 51.79 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.974 -0.557 . . . . 0.0 114.052 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -116.01 148.4 40.19 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 117.525 0.662 . . . . 0.0 110.31 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 54.1 m-85 -98.04 118.19 34.09 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -120.83 148.54 43.88 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.661 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.05 116.04 36.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -120.31 164.09 17.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-O 120.954 0.407 . . . . 0.0 110.41 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -73.31 120.68 19.25 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 30.4 ttt180 -73.66 131.31 41.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.989 -177.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 96.5 mtt180 -96.69 178.09 5.44 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 174.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.22 -43.83 97.0 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.06 20.34 1.24 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.54 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -82.98 105.92 14.38 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.256 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -119.28 136.52 54.19 Favored 'General case' 0 N--CA 1.425 -1.72 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.69 124.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 123.255 0.347 . . . . 0.0 110.693 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.83 -29.36 7.21 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.417 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -93.98 155.25 17.24 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.036 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.7 tt0 -87.96 125.6 34.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.2 151.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.945 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.85 127.12 50.16 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 30.8 p90 -140.85 -179.87 6.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.604 ' HG3' ' ND2' ' A' ' 2' ' ' ASN . 2.2 mp0 -114.73 167.54 10.67 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -64.37 -18.66 64.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.524 0.678 . . . . 0.0 110.73 175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.2 -17.94 58.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.099 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.47 -24.03 34.42 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.1 mt -67.39 139.88 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.715 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.189 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 27.2 m120 . . . . . 0 N--CA 1.443 -0.799 0 CA-C-O 121.639 0.733 . . . . 0.0 111.888 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.8 tpt180 -130.83 156.77 44.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 175.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.69 137.04 47.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.933 0.397 . . . . 0.0 111.166 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.26 155.92 26.91 Favored Glycine 0 N--CA 1.42 -2.394 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.4 mt -99.38 127.67 51.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.426 HD13 ' CG1' ' A' ' 17' ' ' VAL . 36.7 mm -64.76 110.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -91.91 -32.8 15.15 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.274 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -162.7 141.04 8.53 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -110.24 131.64 60.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -135.51 89.74 2.54 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.53 -106.87 1.87 Allowed Glycine 0 N--CA 1.433 -1.555 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.284 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mmt -108.58 12.01 26.28 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.224 0.535 . . . . 0.0 109.922 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 94.2 mttt -114.25 155.46 26.12 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 140.59 45.28 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.202 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.39 119.83 45.95 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -108.75 129.49 63.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-O 120.98 0.419 . . . . 0.0 110.896 178.337 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.5 tp -92.79 102.1 14.49 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 171.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.518 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 44.3 p -71.42 175.17 5.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.565 -172.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -67.82 -8.37 35.53 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.362 0.665 . . . . 0.0 111.188 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -98.17 -0.62 43.91 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.688 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.24 20.35 77.35 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.532 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -101.36 147.18 26.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.06 112.78 24.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.46 147.66 33.61 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.38 120.82 47.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' A' ' 46' ' ' ILE . 42.1 pt -126.84 164.36 27.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -69.62 132.36 46.08 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.154 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.761 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 57.2 ttt180 -78.11 137.76 38.38 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.618 0.723 . . . . 0.0 110.234 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -110.55 173.67 6.22 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -65.81 -41.48 91.84 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.14 0.495 . . . . 0.0 112.152 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -90.55 17.43 7.47 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.063 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.761 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 43.9 ttm -98.65 106.88 19.2 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 2.1 mtpm? -125.62 155.29 40.99 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.16 130.99 35.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 120.581 0.229 . . . . 0.0 110.88 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.15 -27.83 9.8 Favored Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.265 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 13.0 pt20 -93.69 147.08 23.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 44.0 tt0 -86.52 117.08 25.07 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.98 154.83 15.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -95.95 116.14 28.49 Favored 'General case' 0 N--CA 1.417 -2.09 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.9 p90 -120.03 164.34 16.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.32 166.57 11.65 Favored 'General case' 0 C--N 1.261 -3.251 0 CA-C-O 121.284 0.564 . . . . 0.0 110.222 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.39 -20.57 65.56 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.987 0.898 . . . . 0.0 108.836 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.39 -12.39 60.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.85 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.15 -18.6 23.28 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' HA ' HG22 ' A' ' 27' ' ' ILE . 18.5 mt -72.84 123.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 -173.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 2.2 m-85 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.841 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 19.7 m120 . . . . . 0 C--O 1.236 0.378 0 CA-C-O 121.291 0.567 . . . . 0.0 112.036 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.473 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.1 tpt180 -122.05 156.41 33.6 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -112.47 130.98 55.8 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -153.18 156.33 26.67 Favored Glycine 0 CA--C 1.478 -2.244 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.985 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 39.6 mt -100.67 130.98 49.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' A' ' 33' ' ' MET . 32.6 mm -65.27 107.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-O 121.496 0.665 . . . . 0.0 109.935 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -85.6 -40.22 16.48 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.723 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -162.78 161.09 26.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.435 HG21 ' NH1' ' A' ' 29' ' ' ARG . 28.2 mm -120.29 144.1 30.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.14 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.33 74.43 1.55 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.25 -101.31 0.42 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.063 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 mmt -98.9 4.79 47.49 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.184 0.516 . . . . 0.0 111.197 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -113.79 155.67 25.24 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.8 44.68 Favored 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.77 112.8 33.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 m -108.67 123.82 64.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 CA-C-O 121.21 0.529 . . . . 0.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -89.93 102.82 15.53 Favored 'General case' 0 N--CA 1.419 -2.009 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.546 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.2 p -64.71 162.45 15.86 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.493 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -66.39 -10.33 42.47 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.837 0.827 . . . . 0.0 110.743 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' CD ' HH21 ' A' ' 3' ' ' ARG . 36.4 mt-10 -100.72 0.42 38.9 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.928 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.69 18.22 55.12 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -107.32 140.9 39.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 117.298 0.549 . . . . 0.0 110.309 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -96.2 113.41 25.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -111.28 148.81 32.1 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -103.93 115.25 45.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 46' ' ' ILE . 26.9 pt -124.07 170.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-O 120.842 0.353 . . . . 0.0 111.222 -176.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.455 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 77.3 mtt180 -69.6 128.94 38.26 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 172.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' NH1' HG21 ' A' ' 10' ' ' ILE . 7.9 ttt180 -83.28 120.34 25.72 Favored 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.748 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.7 mtt180 -91.19 173.83 7.72 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -73.52 -8.54 56.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.917 0.389 . . . . 0.0 111.769 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -79.01 -43.67 23.84 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.292 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.4 mpt? -50.52 112.78 0.75 Allowed 'General case' 0 C--O 1.244 0.794 0 C-N-CA 125.622 1.569 . . . . 0.0 114.541 -173.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -119.47 140.83 49.82 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 174.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 17.2 t -64.6 122.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.76 0.314 . . . . 0.0 111.159 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.9 -22.91 22.71 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.783 178.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -93.25 154.2 18.15 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.384 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.3 tt0 -85.26 128.95 34.88 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.37 156.93 23.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 t -104.44 116.25 31.78 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 43.5 p90 -121.1 178.51 4.72 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -116.27 169.91 8.93 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-O 121.219 0.533 . . . . 0.0 111.737 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 2.6 m-80 -78.07 -22.84 48.45 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.459 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -82.65 -3.26 55.99 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.693 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 m-20 -102.29 -10.29 19.64 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 27' ' ' ILE . 72.4 mt -75.12 125.92 35.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.625 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.439 -0.99 0 CA-C-O 120.87 0.366 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt -81.68 95.37 7.19 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.3 m120 -76.84 130.77 38.08 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 121.912 0.863 . . . . 0.0 113.014 -173.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -125.64 152.43 45.19 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -115.91 129.71 56.52 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.565 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.12 156.06 26.58 Favored Glycine 0 CA--C 1.479 -2.188 0 C-N-CA 119.643 -1.265 . . . . 0.0 112.187 177.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.8 mt -95.04 128.34 46.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.463 HD11 ' HG3' ' A' ' 33' ' ' MET . 43.6 mm -66.57 102.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -86.33 -35.41 19.88 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.299 -1.318 . . . . 0.0 110.047 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -162.32 163.21 28.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -125.77 136.42 60.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.88 73.92 1.24 Allowed 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.73 -103.11 0.52 Allowed Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.0 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.3 mmt -95.35 8.21 43.86 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 121.066 0.46 . . . . 0.0 110.88 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -114.58 155.29 26.79 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.62 141.86 45.15 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -96.96 117.21 41.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.91 128.26 64.87 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.042 0 CA-C-O 121.02 0.438 . . . . 0.0 111.04 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -94.95 102.39 14.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.565 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 35.3 p -70.88 174.62 5.9 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -172.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -66.98 -15.96 64.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.526 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -87.57 -12.32 46.07 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.366 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.6 28.77 37.93 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.211 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -109.76 146.59 34.71 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -100.43 113.83 26.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.05 151.03 34.98 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.55 118.65 48.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.8 pt -122.68 166.07 17.92 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.59 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 81.5 mtt180 -64.37 134.82 55.36 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -89.39 123.02 33.16 Favored 'General case' 0 C--N 1.284 -2.25 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.763 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.6 mtt180 -98.64 175.33 6.03 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 174.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -71.26 -13.17 61.81 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.17 0.509 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.73 -16.72 59.42 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.897 0.879 . . . . 0.0 110.851 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.463 ' HG3' HD11 ' A' ' 7' ' ' ILE . 1.2 mpt? -80.57 107.0 13.01 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 -173.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -114.3 136.44 52.97 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 t -66.03 125.64 23.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 O-C-N 123.134 0.271 . . . . 0.0 110.274 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.72 -28.41 8.54 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.848 -0.692 . . . . 0.0 113.685 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -93.69 151.98 19.28 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 117.778 0.789 . . . . 0.0 112.974 -176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 64.5 tt0 -86.99 116.3 24.95 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.109 -0.951 . . . . 0.0 108.515 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -110.99 152.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 p -98.07 116.19 29.79 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 29.1 p90 -123.23 177.26 5.65 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -108.01 167.26 10.12 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -76.82 -23.84 52.76 Favored 'General case' 0 CA--C 1.491 -1.326 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -62.67 -22.53 66.53 Favored 'General case' 0 N--CA 1.416 -2.144 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.92 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 5.8 m-20 -86.63 -12.5 48.34 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.843 0.354 . . . . 0.0 110.548 177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.453 HG22 ' H ' ' A' ' 49' ' ' VAL . 45.4 mt -79.44 128.01 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.743 0 CA-C-O 121.675 0.75 . . . . 0.0 110.485 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -80.16 -25.79 39.64 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.757 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' H ' HG22 ' A' ' 46' ' ' ILE . 19.8 m120 -70.23 -60.42 2.29 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.779 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' H ' HG22 ' A' ' 46' ' ' ILE . 14.2 t -94.62 75.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-O 121.742 0.782 . . . . 0.0 108.956 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttm105 -88.88 -44.76 10.23 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.458 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.27 -0.97 16.61 Favored Glycine 0 C--N 1.305 -1.186 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 -172.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.1 tptp . . . . . 0 N--CA 1.435 -1.177 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 179.146 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 111.293 0.109 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 9.5 ptm -90.88 105.68 17.99 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 121.399 0.618 . . . . 0.0 110.857 -177.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -90.56 130.69 36.57 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.84 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -112.53 152.35 28.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.5 mt -114.91 125.75 54.01 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.676 0.274 . . . . 0.0 110.267 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.91 156.46 26.76 Favored Glycine 0 CA--C 1.479 -2.167 0 C-N-CA 120.181 -1.009 . . . . 0.0 111.332 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.532 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 42.9 mt -99.76 130.12 49.33 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.1 mm -64.96 103.37 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -86.19 -37.88 18.24 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.089 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -159.94 164.74 33.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 mm -120.05 139.96 45.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -127.91 74.59 1.55 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.65 -103.79 0.82 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.506 -178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 mmt -102.09 11.8 37.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.226 0.536 . . . . 0.0 110.765 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -117.89 159.77 22.54 Favored 'General case' 0 N--CA 1.433 -1.315 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.13 142.38 50.23 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -97.74 113.23 31.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.2 128.04 63.97 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 121.055 0.455 . . . . 0.0 110.839 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 tp -92.23 103.62 16.07 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.455 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 30.1 p -66.29 164.84 15.12 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.236 -175.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -66.86 -4.59 9.69 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.431 0.634 . . . . 0.0 111.704 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -91.71 -10.46 40.08 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 123.861 0.864 . . . . 0.0 109.743 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 28.03 27.72 Favored Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.627 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -115.64 144.87 43.29 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -96.44 113.27 24.84 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -113.5 153.9 27.94 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.648 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -107.75 117.89 54.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -123.24 165.91 18.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.38 125.22 23.45 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.96 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -81.15 129.54 34.62 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.314 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -105.45 178.91 4.42 Favored 'General case' 0 C--N 1.284 -2.244 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -74.9 -18.59 60.39 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.6 t70 -87.8 -9.31 54.27 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.095 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.62 106.97 0.73 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.753 1.019 . . . . 0.0 113.753 -174.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 42.6 mttp -115.23 136.68 52.85 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.05 122.81 20.0 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 120.622 0.249 . . . . 0.0 110.732 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.85 -22.51 11.56 Favored Glycine 0 N--CA 1.434 -1.469 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.977 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.7 pt20 -92.85 151.36 20.03 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.004 -0.679 . . . . 0.0 111.53 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.532 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 47.4 tt0 -89.29 126.85 35.68 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 175.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 m -117.5 146.65 21.67 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.21 -175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 m -91.02 115.71 28.22 Favored 'General case' 0 N--CA 1.412 -2.335 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -124.2 167.2 14.6 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -102.68 158.54 16.17 Favored 'General case' 0 C--N 1.257 -3.434 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.626 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 10.9 m-80 -72.76 -15.54 61.66 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 122.501 1.143 . . . . 0.0 109.139 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.45 -20.55 59.98 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 113.415 -1.72 . . . . 0.0 110.107 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.36 -6.77 43.48 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 43' ' ' ASN . 89.5 mt -70.14 122.69 22.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.02 0.438 . . . . 0.0 110.6 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.82 -14.73 57.8 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.841 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -76.34 77.02 3.1 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 t -77.04 95.05 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-O 121.061 0.458 . . . . 0.0 109.915 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -166.41 -27.33 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.817 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.53 -77.16 0.56 Allowed Glycine 0 CA--C 1.49 -1.51 0 N-CA-C 110.148 -1.181 . . . . 0.0 110.148 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 tttm . . . . . 0 C--N 1.293 -1.877 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.579 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 120.893 0.377 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp -86.4 98.35 10.96 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.7 m120 -79.43 143.75 34.71 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 121.673 0.749 . . . . 0.0 112.187 -177.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -131.71 156.54 45.73 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -116.47 130.49 56.79 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.88 155.98 26.59 Favored Glycine 0 CA--C 1.479 -2.189 0 C-N-CA 120.051 -1.071 . . . . 0.0 111.667 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -95.67 131.76 41.61 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.233 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.432 HD13 HG12 ' A' ' 17' ' ' VAL . 44.8 mm -65.43 101.63 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -83.49 -36.87 23.78 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.551 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -162.11 164.25 28.12 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.158 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -123.76 137.34 57.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.5 77.01 1.67 Allowed 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.1 -104.93 1.05 Allowed Glycine 0 C--N 1.314 -0.669 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.96 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.1 mmt -99.1 5.08 47.09 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.201 0.524 . . . . 0.0 110.469 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 86.8 mttt -110.22 156.67 20.35 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.38 44.46 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.33 115.22 41.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 7' ' ' ILE . 1.8 m -106.35 129.52 59.55 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 CA-C-O 121.318 0.58 . . . . 0.0 110.96 177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.4 tp -95.38 104.78 16.69 Favored 'General case' 0 N--CA 1.41 -2.454 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.509 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 23.1 p -65.46 161.42 20.02 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -177.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -63.03 -14.8 52.55 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 123.611 0.764 . . . . 0.0 111.436 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -97.63 5.1 49.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.177 0.991 . . . . 0.0 110.516 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.13 32.86 47.02 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.23 -0.509 . . . . 0.0 114.078 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -115.92 133.47 55.99 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -92.24 121.05 33.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.6 mp -117.84 145.59 44.47 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.58 113.53 35.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 pt -120.0 170.01 10.31 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.197 0 CA-C-O 120.989 0.423 . . . . 0.0 110.788 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -68.15 128.61 37.17 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.437 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -82.54 121.17 26.44 Favored 'General case' 0 N--CA 1.408 -2.536 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.4 mtt180 -88.93 174.31 8.0 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -78.22 -19.69 53.3 Favored 'General case' 0 C--N 1.291 -1.935 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -173.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -92.16 10.89 27.51 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.475 0.655 . . . . 0.0 111.065 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -70.21 107.4 3.69 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.438 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 4.2 mppt? -116.34 137.68 51.95 Favored 'General case' 0 N--CA 1.425 -1.711 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 175.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 t -66.78 129.17 31.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 123.275 0.36 . . . . 0.0 110.232 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.0 -15.18 44.28 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.91 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 10.9 pt20 -93.85 147.33 23.17 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 119.959 -0.696 . . . . 0.0 111.798 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -88.1 118.03 27.39 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.26 153.49 13.01 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.064 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -104.68 116.15 31.54 Favored 'General case' 0 N--CA 1.412 -2.365 0 N-CA-C 107.159 -1.422 . . . . 0.0 107.159 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 27.0 p90 -121.11 169.69 10.28 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 107.888 -1.152 . . . . 0.0 107.888 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -105.31 171.06 7.52 Favored 'General case' 0 C--N 1.272 -2.79 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.409 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.38 -14.03 62.39 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 121.915 0.864 . . . . 0.0 109.16 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -77.89 -13.34 59.92 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.848 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.26 -9.24 36.75 Favored 'General case' 0 CA--C 1.495 -1.167 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.329 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 27.5 mt -78.17 126.61 38.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.886 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.453 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -68.9 -29.95 68.34 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.211 -176.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -116.64 110.51 18.6 Favored 'General case' 0 CA--C 1.482 -1.663 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 t -77.01 83.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.123 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -67.08 -22.15 65.84 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.281 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.98 -33.08 6.73 Favored Glycine 0 CA--C 1.501 -0.828 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.42 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 N--CA 1.427 -1.582 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 -179.071 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 12.4 tpt -171.2 83.67 0.08 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.365 1.066 . . . . 0.0 109.201 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.3 m120 -69.78 129.69 40.27 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.459 175.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -115.96 159.07 22.1 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.28 137.12 48.44 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -155.72 155.47 26.3 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.216 176.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 27.3 mt -97.9 125.35 51.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.16 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.0 mm -63.53 105.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -89.08 -36.54 15.7 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.038 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -163.86 163.36 23.8 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -122.32 135.08 63.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 74.79 1.44 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.69 -101.08 0.81 Allowed Glycine 0 C--O 1.242 0.613 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.3 mmt -102.63 5.93 39.4 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.194 0.521 . . . . 0.0 109.806 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -112.83 156.02 23.63 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.25 142.14 45.9 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.02 122.61 48.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.04 128.72 73.24 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.072 0.463 . . . . 0.0 111.694 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.5 tp -88.52 102.16 14.65 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 171.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.495 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 29.7 p -72.13 174.55 7.0 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -65.33 -18.77 65.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.449 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -84.91 -10.14 57.4 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.665 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.24 15.68 78.03 Favored Glycine 0 C--O 1.22 -0.774 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.546 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -103.62 138.73 39.88 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -89.0 112.92 23.96 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.72 148.52 32.12 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.697 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.6 mm -97.53 119.22 45.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 175.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 46' ' ' ILE . 45.7 pt -123.1 167.15 17.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.323 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -71.34 127.94 34.24 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.372 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -86.34 130.21 34.59 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.063 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.516 ' NH2' ' HA ' ' A' ' 41' ' ' PHE . 52.2 mtt180 -101.37 -175.02 2.74 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.36 -28.62 64.19 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.303 1.049 . . . . 0.0 109.227 178.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.96 8.24 18.35 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.463 -172.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.09 107.45 18.45 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 122.196 -0.315 . . . . 0.0 111.783 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.9 mttm -113.55 132.31 55.76 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.5 t -68.76 127.07 29.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.62 -27.47 8.36 Favored Glycine 0 N--CA 1.433 -1.549 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.538 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.7 pt20 -93.6 151.46 19.67 Favored 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.928 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 46.0 tt0 -86.95 123.67 32.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 174.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.92 159.33 15.92 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -99.58 121.55 41.36 Favored 'General case' 0 N--CA 1.411 -2.401 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 44.6 p90 -121.06 157.99 28.82 Favored 'General case' 0 CA--C 1.466 -2.272 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 1' ' ' MET . 3.4 mm-40 -94.26 173.52 7.6 Favored 'General case' 0 C--N 1.248 -3.813 0 CA-C-O 121.455 0.645 . . . . 0.0 110.513 -178.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -24.84 59.54 Favored 'General case' 0 C--N 1.294 -1.804 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -77.8 -5.04 49.46 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.935 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -96.12 -26.56 15.44 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.999 0.428 . . . . 0.0 109.904 177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 48' ' ' ASN . 16.5 mt -65.4 136.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.055 0.542 . . . . 0.0 112.318 -172.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.98 -23.53 19.53 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 122.051 0.929 . . . . 0.0 108.751 175.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.519 ' H ' HG22 ' A' ' 46' ' ' ILE . 13.6 m120 -83.65 71.45 10.38 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.839 177.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.9 t -82.44 107.65 14.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.93 26.38 4.62 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.831 0.824 . . . . 0.0 110.373 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 123.48 -34.6 3.58 Favored Glycine 0 CA--C 1.483 -1.927 0 N-CA-C 106.068 -2.813 . . . . 0.0 106.068 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 mptt . . . . . 0 N--CA 1.411 -2.422 0 N-CA-C 101.739 -3.43 . . . . 0.0 101.739 168.699 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.44 -0.958 0 CA-C-O 120.763 0.316 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.0 mtm -153.0 115.17 4.38 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -174.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 42' ' ' GLU . 12.4 m120 -70.52 153.29 43.07 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.647 0.737 . . . . 0.0 112.347 177.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.487 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 10.5 tpt180 -140.09 157.18 46.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.3 mt -118.97 136.52 54.05 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -159.5 156.11 27.24 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.528 176.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 49.1 mt -95.16 131.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 C-N-CA 123.455 0.702 . . . . 0.0 109.793 -177.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.38 104.74 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -89.33 -32.42 17.34 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.343 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.84 162.5 18.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.03 140.39 48.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.431 HE22 HG23 ' A' ' 16' ' ' VAL . 2.0 mp0 -128.4 77.08 1.75 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 174.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.17 -100.78 0.6 Allowed Glycine 0 C--N 1.31 -0.911 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.861 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 mtp -105.65 15.77 26.4 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.097 0.475 . . . . 0.0 110.838 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -118.0 155.92 29.45 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 173.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.26 144.13 44.64 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.431 HG23 HE22 ' A' ' 11' ' ' GLN . 67.1 t -98.76 121.88 49.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 13.3 m -114.09 128.43 71.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.126 0.489 . . . . 0.0 110.987 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.4 tp -90.69 103.1 15.84 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.435 ' HB ' ' OE2' ' A' ' 21' ' ' GLU . 60.3 p -68.3 172.61 5.68 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.036 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -63.84 -21.04 66.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.646 0.736 . . . . 0.0 110.525 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' OE2' ' HB ' ' A' ' 19' ' ' THR . 1.7 mp0 -82.84 -8.57 59.57 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.351 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.18 28.89 47.72 Favored Glycine 0 N--CA 1.435 -1.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -112.23 146.16 38.65 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -96.58 112.63 24.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.701 0.762 . . . . 0.0 109.675 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.8 146.29 36.65 Favored 'General case' 0 C--N 1.281 -2.379 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.92 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.7 mm -103.56 121.61 55.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' A' ' 46' ' ' ILE . 27.6 pt -123.16 168.7 15.36 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -176.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 73.9 mtm180 -67.98 125.68 27.08 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.879 173.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -85.02 126.9 33.93 Favored 'General case' 0 C--N 1.305 -1.347 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.168 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 73.0 mtt85 -94.81 166.14 12.13 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -65.48 -22.49 66.75 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -91.95 3.91 54.16 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -76.28 107.48 8.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.581 0.229 . . . . 0.0 110.423 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 46.8 mtpt -113.59 145.81 40.68 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.47 136.22 26.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 C-N-CA 122.874 0.47 . . . . 0.0 111.177 -174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.01 -24.67 28.69 Favored Glycine 0 N--CA 1.439 -1.161 0 CA-C-N 115.85 -0.614 . . . . 0.0 113.117 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 6.8 pt20 -94.18 154.93 17.32 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 122.681 -0.306 . . . . 0.0 111.767 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.7 tt0 -86.87 132.9 33.69 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.75 151.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 CA-C-O 120.899 0.38 . . . . 0.0 110.164 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 p -99.84 115.68 30.16 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 37.7 p90 -128.97 173.9 10.0 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 2' ' ' ASN . 3.2 mm-40 -107.2 170.77 7.76 Favored 'General case' 0 C--N 1.278 -2.503 0 CA-C-O 121.292 0.568 . . . . 0.0 110.953 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.39 -25.21 61.41 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.647 177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.78 -12.96 60.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.428 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -93.62 -14.48 26.42 Favored 'General case' 0 CA--C 1.502 -0.867 0 O-C-N 122.135 -0.353 . . . . 0.0 110.792 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.436 ' HA ' HG22 ' A' ' 27' ' ' ILE . 8.9 mt -78.78 127.16 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 120.956 0.408 . . . . 0.0 110.159 -176.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' CE1' ' HG2' ' A' ' 28' ' ' ARG . 4.6 m-85 -85.59 -36.03 20.66 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -137.24 104.78 5.5 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.766 -173.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.9 t -86.77 -54.94 7.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 CA-C-O 121.665 0.745 . . . . 0.0 109.895 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -129.59 52.03 2.02 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.52 -40.14 3.03 Favored Glycine 0 C--O 1.221 -0.717 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -172.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.422 -1.84 0 N-CA-C 104.748 -2.316 . . . . 0.0 104.748 172.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.505 -0.786 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtm -115.54 149.62 37.88 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -93.55 144.19 25.6 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 123.688 0.617 . . . . 0.0 109.897 177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.489 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 5.9 tpt180 -130.87 159.06 38.48 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.72 129.25 54.42 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 123.374 0.421 . . . . 0.0 109.981 -177.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.29 156.83 26.92 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 120.003 -1.094 . . . . 0.0 112.266 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 60.7 mt -94.11 128.59 45.32 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 mm -63.58 104.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -86.49 -36.11 19.21 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.72 -176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -162.98 160.19 24.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.6 mm -118.81 138.99 47.73 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 C-N-CA 123.3 0.64 . . . . 0.0 109.487 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.447 HE22 HG23 ' A' ' 16' ' ' VAL . 1.4 mp0 -125.0 76.81 1.56 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.66 -101.27 0.56 Allowed Glycine 0 C--O 1.248 0.98 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.699 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mmt -103.13 6.52 38.52 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.926 0.393 . . . . 0.0 111.21 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 11' ' ' GLN . 89.4 mttt -109.51 158.34 18.09 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.7 145.6 44.91 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.447 HG23 HE22 ' A' ' 11' ' ' GLN . 91.8 t -97.87 120.78 47.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 175.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.01 129.54 67.29 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.2 tp -95.45 103.45 15.32 Favored 'General case' 0 C--N 1.282 -2.365 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 66.8 p -66.32 171.07 5.14 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.976 0.417 . . . . 0.0 112.038 -175.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -64.85 -16.51 63.25 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.621 0.724 . . . . 0.0 109.963 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -87.78 -10.38 51.17 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.213 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.39 36.69 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.411 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -106.6 144.18 33.64 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -101.57 113.18 26.09 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -116.9 147.33 42.3 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.28 127.2 51.0 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 pt -129.24 168.38 22.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-O 120.893 0.378 . . . . 0.0 110.976 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.487 ' HD2' ' OD1' ' A' ' 45' ' ' ASP . 65.1 mtt180 -64.94 126.06 26.83 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -85.09 130.35 34.63 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.47 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 94.4 mtt180 -98.31 168.07 10.45 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.82 -12.46 61.64 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -98.44 3.15 48.32 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.294 0.569 . . . . 0.0 111.2 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -78.79 116.08 18.9 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mppt? -117.33 150.14 39.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.07 132.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 C-N-CA 122.667 0.387 . . . . 0.0 110.566 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.63 -21.02 35.56 Favored Glycine 0 C--N 1.314 -0.642 0 C-N-CA 121.035 -0.602 . . . . 0.0 113.716 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.3 pt20 -93.25 146.5 23.65 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 120.269 -0.573 . . . . 0.0 111.876 -177.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 33.6 tt0 -81.66 119.35 23.71 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 173.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.09 162.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 C-N-CA 122.662 0.385 . . . . 0.0 109.985 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p -107.88 127.12 53.45 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 29.2 p90 -131.81 168.76 17.25 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -109.86 166.93 10.54 Favored 'General case' 0 C--N 1.288 -2.087 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.133 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.533 HD22 HD12 ' A' ' 46' ' ' ILE . 4.9 m120 -60.15 -30.16 69.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.733 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.13 -26.06 61.97 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.165 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.487 ' OD1' ' HD2' ' A' ' 28' ' ' ARG . 39.3 m-20 -78.72 -15.87 57.93 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.533 HD12 HD22 ' A' ' 43' ' ' ASN . 58.9 mt -74.82 114.06 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-O 121.701 0.763 . . . . 0.0 111.499 -176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -81.42 -5.72 58.19 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.923 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.406 ' H ' HG22 ' A' ' 46' ' ' ILE . 3.4 m-20 -72.48 -42.2 65.17 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 171.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.7 t -82.08 -44.76 19.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.096 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 50' ' ' ARG . 3.7 mmp_? -93.63 43.26 1.11 Allowed 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.94 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.17 41.2 0.41 Allowed Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--N 1.306 -1.29 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.176 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 120.703 0.287 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mtm -115.54 133.2 56.26 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 172.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -93.74 139.73 30.48 Favored 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.524 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 1.2 tpt180 -121.47 148.05 44.96 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -112.67 131.47 55.63 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -156.59 156.12 26.89 Favored Glycine 0 N--CA 1.425 -2.054 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.768 177.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.463 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.3 mt -96.21 130.66 44.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.428 HD13 HG12 ' A' ' 17' ' ' VAL . 39.9 mm -66.67 103.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -83.92 -39.37 19.89 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.264 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -162.12 163.85 28.33 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.1 mm -119.62 138.01 51.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.82 73.88 1.04 Allowed 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.72 -101.49 0.41 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.443 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 mmt -98.61 7.49 46.06 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.439 0.638 . . . . 0.0 110.511 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -120.17 156.32 31.34 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.29 144.82 51.56 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.97 113.86 33.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 7.6 m -107.87 131.22 58.75 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.083 0.468 . . . . 0.0 111.431 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -93.14 102.27 14.57 Favored 'General case' 0 C--N 1.288 -2.065 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.1 p -70.32 170.57 11.53 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.366 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -64.22 -14.92 58.62 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.487 0.661 . . . . 0.0 110.939 176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.55 -13.02 55.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.282 177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.56 25.53 38.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.654 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -111.18 148.5 32.63 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -102.28 112.72 25.52 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.69 154.8 25.56 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.903 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -103.39 118.46 50.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.414 HG22 ' HA ' ' A' ' 46' ' ' ILE . 24.4 pt -122.42 166.29 17.32 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-O 120.659 0.266 . . . . 0.0 110.607 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.585 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 98.5 mtt180 -65.64 126.07 27.23 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -85.33 122.68 29.84 Favored 'General case' 0 N--CA 1.419 -1.998 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.614 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -94.34 164.72 12.91 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -71.94 -8.41 54.31 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.221 0.534 . . . . 0.0 111.789 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -79.62 -18.84 50.66 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.379 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.89 112.25 6.93 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.776 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -113.58 138.52 50.05 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.77 127.9 26.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-O 121.077 0.465 . . . . 0.0 111.459 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.08 -17.45 44.51 Favored Glycine 0 N--CA 1.435 -1.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 114.239 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -93.72 148.21 22.33 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.873 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 61.8 tt0 -82.83 120.18 25.32 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -111.33 153.91 13.0 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.586 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 m -106.56 115.4 30.14 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.6 p90 -128.84 171.48 12.23 Favored 'General case' 0 CA--C 1.47 -2.108 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 -178.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -101.02 166.38 10.84 Favored 'General case' 0 C--N 1.273 -2.753 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.76 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.83 -14.15 61.89 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.759 0.79 . . . . 0.0 110.255 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -70.96 -30.61 66.93 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.719 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 3.4 m-20 -73.41 -22.56 60.2 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.673 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.414 ' HA ' HG22 ' A' ' 27' ' ' ILE . 62.4 mt -70.31 115.78 10.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 CA-C-O 121.875 0.845 . . . . 0.0 111.444 -176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.585 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 2.9 m-85 -74.18 -21.37 59.86 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.415 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -64.51 -29.14 70.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.203 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -82.57 -58.22 3.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.526 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -135.34 150.02 49.87 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.801 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.54 -70.69 1.17 Allowed Glycine 0 N--CA 1.437 -1.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.048 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.302 0 C-N-CA 124.474 1.109 . . . . 0.0 110.167 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 42' ' ' GLU . 2.1 m . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HB3' ' HB2' ' A' ' 43' ' ' ASN . 16.6 tpt -112.2 91.66 3.74 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.0 m120 -82.22 130.07 35.0 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -118.28 159.29 23.63 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.48 132.46 55.22 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 117.863 0.301 . . . . 0.0 110.839 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.96 157.21 28.26 Favored Glycine 0 CA--C 1.483 -1.967 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.976 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 43.7 mt -98.04 131.55 44.82 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 46.8 mm -68.11 111.41 2.52 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.537 0.684 . . . . 0.0 109.798 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -86.28 -38.72 17.25 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 114.098 -1.41 . . . . 0.0 109.567 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -159.29 162.84 36.11 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.458 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG12 HG22 ' A' ' 35' ' ' VAL . 13.3 mm -126.9 132.91 69.53 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -135.85 85.64 2.17 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.27 -118.09 9.05 Favored Glycine 0 N--CA 1.436 -1.353 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.678 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 mmt -95.7 11.75 32.29 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 120.998 0.428 . . . . 0.0 110.882 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -116.27 159.42 21.89 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.48 152.82 47.3 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.193 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -106.03 121.79 58.88 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 2.8 m -109.83 130.58 62.73 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.38 102.37 14.17 Favored 'General case' 0 N--CA 1.414 -2.241 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 170.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.492 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 72.9 p -70.11 173.57 6.44 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.086 0.47 . . . . 0.0 112.109 -173.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -64.44 -16.07 61.75 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.514 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -86.1 -8.02 58.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.446 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.72 30.65 38.77 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.647 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -114.96 145.91 41.74 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 m-85 -101.24 113.53 26.67 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 mp -114.63 144.1 43.96 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.067 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -90.73 117.5 34.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HG12 ' A' ' 46' ' ' ILE . 14.2 pt -125.47 170.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -83.36 131.67 35.04 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.418 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.721 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 32.4 ttt180 -73.69 134.99 43.66 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.641 -178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.18 175.26 5.79 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -69.55 -33.5 72.86 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -173.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 20.1 t70 -87.78 -10.02 52.21 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.595 0.712 . . . . 0.0 110.479 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.721 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 34.6 ttm -67.23 106.56 2.07 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.97 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 28.4 mttp -116.75 155.37 29.02 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 40.8 t -69.92 140.16 19.06 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.302 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.68 -25.33 27.89 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 121.24 -0.505 . . . . 0.0 114.124 174.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -94.04 154.26 17.73 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.043 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 26.8 tt0 -88.46 130.08 35.29 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -120.36 153.73 23.45 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 -176.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 m -98.61 115.86 29.56 Favored 'General case' 0 N--CA 1.407 -2.603 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 172.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.2 p90 -123.82 168.3 12.92 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -178.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.473 ' HG2' ' HB3' ' A' ' 0' ' ' SER . 1.8 mp0 -106.26 166.53 10.46 Favored 'General case' 0 C--N 1.273 -2.721 0 O-C-N 123.429 0.455 . . . . 0.0 110.673 -177.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 1.5 m-80 -78.55 -23.12 46.31 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' CD ' ' HB3' ' A' ' 42' ' ' GLU . 1.7 mp0 -64.91 -19.55 65.98 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 113.662 -1.608 . . . . 0.0 110.366 173.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -96.06 -12.95 24.11 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.705 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG22 ' H ' ' A' ' 48' ' ' ASN . 57.6 mt -79.14 117.38 24.68 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.599 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -76.57 -15.75 59.78 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.698 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.458 ' H ' HG22 ' A' ' 46' ' ' ILE . 9.6 m120 -83.45 -10.56 58.31 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.874 177.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.4 t -101.04 100.75 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -99.47 -27.16 13.86 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.687 -177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.08 102.43 1.14 Allowed Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.536 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 124.314 1.045 . . . . 0.0 111.833 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.418 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 2.1 p . . . . . 0 N--CA 1.437 -1.076 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtm -129.23 129.17 44.65 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -89.37 142.04 28.02 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.345 0.593 . . . . 0.0 111.493 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -130.75 158.61 39.63 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.119 -1.437 . . . . 0.0 107.119 178.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.29 143.69 47.21 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -166.04 156.2 27.95 Favored Glycine 0 N--CA 1.426 -1.971 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.974 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 47.0 mt -95.82 129.93 45.23 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 34.1 mm -67.4 104.98 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 121.565 0.697 . . . . 0.0 109.444 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -87.63 -35.5 18.01 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.832 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -162.53 165.06 26.56 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mm -130.89 139.47 51.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 C-N-CA 123.818 0.847 . . . . 0.0 109.181 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -136.96 82.87 1.96 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.31 -121.19 8.85 Favored Glycine 0 N--CA 1.424 -2.145 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 83.1 mtp -100.05 26.13 6.73 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.492 0.663 . . . . 0.0 110.32 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -118.76 148.03 43.24 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.8 146.56 50.88 Favored 'General case' 0 C--N 1.277 -2.581 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.327 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -99.64 113.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.5 128.91 60.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.615 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 tp -92.01 102.18 14.74 Favored 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 104.718 -2.326 . . . . 0.0 104.718 171.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 71.2 p -67.59 174.86 3.18 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -172.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 p -69.46 -6.68 31.97 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.189 0.995 . . . . 0.0 110.999 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -96.79 -6.83 35.21 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.187 176.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.48 23.94 59.66 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.533 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -111.01 145.05 39.15 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 116.845 0.323 . . . . 0.0 110.13 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -93.88 118.68 31.79 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mp -122.1 145.43 48.18 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.116 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 mm -93.78 120.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.452 HG22 ' HA ' ' A' ' 46' ' ' ILE . 36.1 pt -127.16 166.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.62 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -64.87 128.55 36.25 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -88.82 118.35 28.46 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.38 -179.05 5.11 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 176.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -78.55 -10.98 59.93 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.467 0.651 . . . . 0.0 110.294 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.8 -9.16 59.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.57 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -89.66 106.66 18.61 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-O 121.223 0.535 . . . . 0.0 111.444 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -114.29 143.44 44.86 Favored 'General case' 0 N--CA 1.422 -1.872 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.438 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 3.1 t -68.21 133.98 30.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 CA-C-O 121.255 0.55 . . . . 0.0 111.342 -175.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.23 -25.2 28.58 Favored Glycine 0 N--CA 1.429 -1.792 0 CA-C-N 115.577 -0.738 . . . . 0.0 114.107 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -93.92 158.99 15.38 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.065 -0.654 . . . . 0.0 111.692 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.9 tt0 -89.57 128.7 36.06 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.56 161.52 23.6 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -111.73 132.21 54.79 Favored 'General case' 0 N--CA 1.401 -2.906 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 18.2 p90 -132.62 173.39 11.39 Favored 'General case' 0 C--N 1.267 -3.0 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.6 166.79 10.53 Favored 'General case' 0 C--N 1.266 -3.028 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 5.6 m-80 -72.41 -23.67 61.12 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 122.286 1.041 . . . . 0.0 109.137 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' OE1' ' HA ' ' A' ' 0' ' ' SER . 29.7 mp0 -67.34 -25.59 66.07 Favored 'General case' 0 N--CA 1.409 -2.515 0 CA-C-N 113.4 -1.727 . . . . 0.0 110.429 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.69 -14.4 45.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.337 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' HA ' HG22 ' A' ' 27' ' ' ILE . 58.3 mt -74.57 128.96 36.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-O 121.33 0.586 . . . . 0.0 109.994 -177.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -83.14 -25.48 31.87 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.306 177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' H ' HG22 ' A' ' 46' ' ' ILE . 18.6 m120 -93.8 76.46 4.25 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.994 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.5 t -87.67 103.37 13.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.007 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -116.92 82.9 1.88 Allowed 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 176.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.71 -63.06 0.42 Allowed Glycine 0 CA--C 1.487 -1.668 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HD3' ' C ' ' A' ' 52' ' ' LYS . 2.8 tmtt? . . . . . 0 C--N 1.299 -1.591 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.438 -1.03 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 53.7 mmm -119.6 109.4 15.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 121.396 -0.815 . . . . 0.0 111.859 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 7.4 m120 -90.92 142.29 27.92 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.09 0.471 . . . . 0.0 111.619 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -130.06 157.77 41.48 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -116.5 122.66 45.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 117.78 0.264 . . . . 0.0 110.658 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.19 156.45 26.81 Favored Glycine 0 N--CA 1.429 -1.779 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.903 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 65.9 mt -95.59 130.38 44.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.959 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 29.8 mm -68.77 102.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-O 121.81 0.815 . . . . 0.0 109.498 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -81.0 -41.89 22.03 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 113.973 -1.467 . . . . 0.0 109.075 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -160.8 147.39 15.19 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.222 -176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.479 HD12 ' HG3' ' A' ' 29' ' ' ARG . 26.9 mm -111.94 133.43 57.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.519 HE22 HG23 ' A' ' 16' ' ' VAL . 3.4 mp0 -120.82 75.03 1.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.76 -100.84 0.95 Allowed Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.044 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.3 mtp -109.0 11.04 26.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.641 0.257 . . . . 0.0 111.299 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -112.21 155.99 23.08 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 174.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.4 41.48 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.637 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.519 HG23 HE22 ' A' ' 11' ' ' GLN . 85.8 t -100.12 113.67 36.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 N-CA-C 106.854 -1.536 . . . . 0.0 106.854 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 7' ' ' ILE . 2.1 m -107.17 127.56 62.81 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-O 121.125 0.488 . . . . 0.0 110.992 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 tp -94.38 106.28 18.25 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 174.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 37.6 p -65.38 164.7 13.19 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.023 0.439 . . . . 0.0 112.138 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -60.9 -17.55 51.35 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.925 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -91.85 -20.04 21.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.168 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.28 34.07 3.5 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 119.888 -1.149 . . . . 0.0 113.941 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -111.15 147.29 35.23 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -103.93 116.73 32.8 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -116.92 143.75 45.34 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.7 mm -95.74 120.65 45.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' HA ' ' A' ' 46' ' ' ILE . 40.8 pt -124.31 170.89 13.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 45' ' ' ASP . 34.7 mtm180 -74.6 128.43 35.53 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.561 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 9.7 ttt180 -78.71 125.68 29.7 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -85.36 163.15 18.72 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -72.65 -14.32 61.56 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -171.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -110.5 9.57 23.21 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 122.025 0.917 . . . . 0.0 109.985 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 36.5 ttm -78.93 118.05 20.58 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.97 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -113.89 151.64 31.92 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.045 0.538 . . . . 0.0 110.847 -176.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 7.4 t -75.72 142.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.251 0.62 . . . . 0.0 111.259 -177.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.05 15.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.865 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -92.79 157.5 16.38 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.89 0.376 . . . . 0.0 111.497 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 36.2 tt0 -89.64 119.45 30.07 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 176.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -111.72 152.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.07 -175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 m -94.9 116.1 28.29 Favored 'General case' 0 N--CA 1.404 -2.737 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 172.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.5 p90 -120.44 172.99 7.43 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' ' O ' ' A' ' 1' ' ' MET . 38.8 mt-10 -108.67 166.17 11.0 Favored 'General case' 0 C--N 1.275 -2.634 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.185 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -74.88 -24.12 58.5 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.11 -18.71 64.01 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-N 113.823 -1.535 . . . . 0.0 111.064 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 29.7 m-20 -86.1 -17.07 36.05 Favored 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 122.086 -0.384 . . . . 0.0 110.739 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.647 HG22 ' H ' ' A' ' 48' ' ' ASN . 62.9 mt -68.8 126.01 27.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 CA-C-O 121.225 0.536 . . . . 0.0 110.986 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.74 -5.48 40.96 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.562 0.696 . . . . 0.0 111.482 -177.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.647 ' H ' HG22 ' A' ' 46' ' ' ILE . 90.8 m-20 -85.08 -10.0 57.34 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.5 t -109.23 90.39 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.63 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -138.07 21.42 2.82 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.036 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.09 12.05 24.4 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.752 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.8 mttm . . . . . 0 N--CA 1.441 -0.919 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 176.879 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.435 -1.184 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' ' HA ' ' A' ' 42' ' ' GLU . 14.1 tpt -113.22 88.09 2.75 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 177.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 2.8 m120 -85.41 127.6 34.43 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -174.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.593 ' NH1' ' HA ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -113.33 156.1 23.98 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 172.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -117.41 131.99 56.66 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 -175.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.82 156.26 26.61 Favored Glycine 0 N--CA 1.427 -1.904 0 C-N-CA 120.236 -0.983 . . . . 0.0 111.766 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.7 mt -95.51 131.09 43.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 30.4 mm -65.03 106.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -90.16 -33.93 16.04 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.655 -176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -163.98 166.27 21.73 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.29 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 mm -125.27 135.35 64.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 C-N-CA 123.295 0.638 . . . . 0.0 109.32 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.55 74.13 1.1 Allowed 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.13 -101.28 0.47 Allowed Glycine 0 C--O 1.244 0.755 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.309 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -98.1 4.07 49.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.338 0.589 . . . . 0.0 110.756 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -114.86 155.21 27.23 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.17 144.73 50.87 Favored 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.19 117.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 m -109.86 130.42 63.04 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.209 0 CA-C-O 120.926 0.393 . . . . 0.0 110.784 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.3 tp -94.22 104.08 16.1 Favored 'General case' 0 C--N 1.286 -2.182 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 172.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.51 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 42.9 p -67.62 171.91 5.77 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.667 -173.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -66.64 -14.53 62.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.616 0.722 . . . . 0.0 110.349 175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -89.52 -10.02 47.77 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.859 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.73 26.2 43.05 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.157 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -111.71 140.98 45.88 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -95.14 112.87 24.52 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.26 148.68 32.35 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.301 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.8 mm -102.79 117.83 48.78 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.2 pt -124.82 167.05 19.42 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.182 0 CA-C-O 120.78 0.324 . . . . 0.0 111.175 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 62.1 mtm180 -64.8 124.68 22.61 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.519 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -86.01 130.37 34.56 Favored 'General case' 0 N--CA 1.413 -2.292 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.426 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -103.48 163.3 12.37 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.13 -18.68 64.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' O ' ' HD3' ' A' ' 34' ' ' LYS . 15.9 t70 -80.45 -15.72 56.09 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.711 0.291 . . . . 0.0 111.365 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.55 107.89 2.66 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 3.1 mppt? -113.41 149.1 34.63 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 173.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.407 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 4.9 t -71.12 134.57 29.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.89 -22.86 29.06 Favored Glycine 0 N--CA 1.439 -1.123 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.953 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -93.21 152.42 19.22 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.551 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 32.2 tt0 -89.23 124.52 34.45 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.8 m -116.31 148.6 18.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 CA-C-O 120.967 0.413 . . . . 0.0 111.226 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -94.37 118.28 31.38 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 35.9 p90 -125.78 166.22 17.22 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 1' ' ' MET . 1.9 mp0 -105.4 170.35 7.94 Favored 'General case' 0 C--N 1.272 -2.776 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.01 -27.53 66.63 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -64.31 -23.78 67.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.918 176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 15.3 m-20 -79.65 -22.54 43.43 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.281 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.8 mt -69.48 115.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 CA-C-O 121.512 0.672 . . . . 0.0 111.224 -175.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 -83.59 -12.05 56.56 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.937 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -64.95 111.11 2.7 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 123.457 0.473 . . . . 0.0 110.004 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.76 84.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -98.31 98.82 10.02 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.546 -176.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.52 -160.53 13.92 Favored Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 C--N 1.299 -1.623 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.656 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.444 -0.725 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.3 mtm -113.65 124.9 53.42 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -90.55 133.56 34.99 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.77 0.319 . . . . 0.0 110.577 177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -120.53 153.56 36.54 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -113.94 134.85 54.56 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -155.01 155.98 26.6 Favored Glycine 0 N--CA 1.428 -1.862 0 C-N-CA 120.325 -0.941 . . . . 0.0 111.31 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 52.3 mt -95.1 130.89 43.26 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.22 104.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -84.73 -37.34 21.01 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.542 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -164.01 164.74 22.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mm -120.63 139.12 48.9 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 C-N-CA 122.85 0.46 . . . . 0.0 109.934 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.41 74.56 1.06 Allowed 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.64 -102.99 0.81 Allowed Glycine 0 C--N 1.312 -0.75 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.4 mtp -106.32 18.24 22.28 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.599 0.714 . . . . 0.0 110.529 177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -118.74 158.42 25.59 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.17 144.65 45.11 Favored 'General case' 0 C--N 1.288 -2.095 0 CA-C-O 120.563 0.22 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.36 114.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 m -108.43 125.85 65.21 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.444 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 55.5 tp -89.54 102.28 14.96 Favored 'General case' 0 N--CA 1.417 -2.123 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 172.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.6 p -66.53 167.86 10.13 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.664 -174.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 p -68.86 -5.03 18.62 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.48 0.657 . . . . 0.0 110.318 175.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.52 -11.22 30.0 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.41 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.01 26.89 27.64 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.291 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 30.7 mt-10 -115.81 154.57 29.42 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -105.49 113.07 26.43 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HG ' HD21 ' A' ' 48' ' ' ASN . 8.8 mp -115.28 144.42 43.76 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.791 -178.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.6 mm -93.89 122.24 45.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.413 HG22 ' HA ' ' A' ' 46' ' ' ILE . 15.6 pt -126.4 171.43 15.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -68.02 132.85 48.02 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 174.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -86.27 122.15 29.86 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 119.244 -0.982 . . . . 0.0 108.957 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.678 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 72.2 mtt180 -88.95 172.79 8.88 Favored 'General case' 0 N--CA 1.421 -1.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -73.32 -9.28 58.54 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -168.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -115.89 8.4 14.72 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.605 0.717 . . . . 0.0 112.0 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.678 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.2 OUTLIER -70.64 108.71 4.51 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.378 -179.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -113.82 144.14 43.5 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 108.561 -0.904 . . . . 0.0 108.561 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.8 123.71 21.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-O 121.027 0.441 . . . . 0.0 111.378 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.21 -23.62 10.47 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.921 -0.657 . . . . 0.0 114.248 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -93.31 156.97 16.48 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.784 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 52.4 tt0 -91.47 118.77 30.85 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.51 149.34 13.45 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 121.176 0.512 . . . . 0.0 111.264 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 p -96.46 116.25 28.75 Favored 'General case' 0 N--CA 1.415 -2.198 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.507 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -125.04 170.68 10.92 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -103.12 163.86 11.97 Favored 'General case' 0 C--N 1.273 -2.745 0 N-CA-C 108.714 -0.846 . . . . 0.0 108.714 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -72.37 -14.78 61.81 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.287 0.565 . . . . 0.0 110.159 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -69.65 -29.77 67.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.092 174.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.39 -13.67 59.88 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.414 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HA ' HG22 ' A' ' 27' ' ' ILE . 83.4 mt -68.11 118.52 12.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-O 121.4 0.619 . . . . 0.0 110.574 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -81.31 -9.9 59.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.303 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.447 HD21 ' HG ' ' A' ' 25' ' ' LEU . 81.1 m-20 -56.43 137.34 53.12 Favored 'General case' 0 CA--C 1.498 -1.031 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 t -85.03 -69.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.078 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -125.48 -85.13 0.63 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.35 65.67 1.27 Allowed Glycine 0 N--CA 1.434 -1.46 0 N-CA-C 109.806 -1.318 . . . . 0.0 109.806 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.241 0.614 0 C-N-CA 123.861 0.864 . . . . 0.0 109.138 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.443 -0.809 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB2' ' ND2' ' A' ' 43' ' ' ASN . 79.9 mtp -140.98 120.93 13.6 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 122.476 0.31 . . . . 0.0 110.241 -177.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -68.64 148.04 51.02 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 172.676 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.588 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.7 tpt180 -143.39 155.69 44.48 Favored 'General case' 0 C--N 1.29 -2.011 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.1 mt -111.18 130.31 55.68 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.497 0.498 . . . . 0.0 110.338 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.61 155.76 26.42 Favored Glycine 0 N--CA 1.428 -1.844 0 C-N-CA 119.966 -1.112 . . . . 0.0 111.806 177.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 40.2 mt -95.11 128.15 46.52 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.977 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.7 101.03 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -85.76 -34.93 21.05 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.837 -176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -160.69 159.82 30.74 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.5 mm -121.43 134.27 65.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.32 73.5 1.05 Allowed 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.04 -100.66 0.35 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.731 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.8 mmt -95.74 1.69 53.51 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.34 0.656 . . . . 0.0 110.609 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -112.07 157.13 21.15 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.94 140.68 44.19 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.7 119.54 43.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.4 m -109.68 129.24 64.9 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.096 0 CA-C-O 121.234 0.54 . . . . 0.0 110.946 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -93.82 102.82 14.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.505 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 40.5 p -68.22 168.99 11.2 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.4 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -68.86 -8.88 47.94 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.466 0.651 . . . . 0.0 110.43 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' CD ' HH21 ' A' ' 3' ' ' ARG . 25.9 mt-10 -88.2 -15.52 35.76 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.969 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.74 22.18 31.75 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.532 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -110.03 145.65 36.67 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -98.71 116.15 30.3 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mp -117.27 148.08 41.98 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.9 mm -98.37 124.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' HA ' ' A' ' 46' ' ' ILE . 30.9 pt -125.86 169.13 17.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -69.75 128.16 35.47 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -87.64 124.85 33.97 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 81.2 mtt180 -92.69 169.75 10.25 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -77.07 -7.2 55.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.654 0.74 . . . . 0.0 110.631 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.88 -6.95 53.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.472 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.42 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -73.98 121.14 20.55 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.388 -178.493 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 67.1 mttm -120.22 139.92 51.95 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 175.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -69.21 133.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 103.22 -23.71 32.49 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.39 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.2 pt20 -93.21 148.69 21.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 118.095 0.947 . . . . 0.0 112.367 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.53 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.1 tt0 -83.22 121.51 27.19 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 174.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -116.23 161.57 14.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.255 -175.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -104.14 120.4 41.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 28.9 p90 -122.17 173.91 7.29 Favored 'General case' 0 C--N 1.291 -1.976 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -107.65 168.82 8.99 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-O 120.996 0.426 . . . . 0.0 110.049 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 1' ' ' MET . 1.7 m-80 -74.2 -24.18 59.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.557 0.694 . . . . 0.0 110.709 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.31 -10.9 59.87 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.484 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -90.36 -21.44 21.98 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 48' ' ' ASN . 50.9 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.64 -177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.3 m-85 -76.39 -13.1 60.14 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.022 0.915 . . . . 0.0 110.645 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' H ' HG22 ' A' ' 46' ' ' ILE . 6.0 m-20 -72.66 -30.96 64.72 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.743 173.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -91.52 -61.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.532 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -82.75 114.26 20.97 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.367 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.71 -59.64 4.69 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.196 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt . . . . . 0 C--N 1.316 -0.885 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.776 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.454 ' OG ' ' HG3' ' A' ' 44' ' ' GLU . 73.6 p . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 121.023 0.439 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 mtm -131.97 146.75 52.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 11.8 m120 -91.65 161.98 14.69 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.157 0.503 . . . . 0.0 111.171 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 12.3 tpt180 -146.84 151.02 36.41 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 174.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.91 125.71 53.95 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 123.142 0.276 . . . . 0.0 110.657 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.449 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -152.96 156.18 26.56 Favored Glycine 0 N--CA 1.415 -2.764 0 C-N-CA 119.63 -1.271 . . . . 0.0 111.805 178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.2 mt -95.16 130.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.325 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.42 HD13 HG12 ' A' ' 17' ' ' VAL . 30.9 mm -67.98 104.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -82.34 -35.55 27.76 Favored 'General case' 0 C--N 1.284 -2.26 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.536 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -164.39 158.77 18.93 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.431 HG12 HG22 ' A' ' 35' ' ' VAL . 25.0 mm -114.33 143.58 23.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.58 76.49 1.71 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.76 -109.67 3.01 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.4 mtp -106.07 16.4 25.06 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 121.704 0.764 . . . . 0.0 110.083 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -111.54 159.34 18.21 Favored 'General case' 0 N--CA 1.432 -1.371 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.58 143.22 47.24 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.0 t -99.39 113.08 33.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 3.5 m -104.54 134.51 45.69 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.037 0 CA-C-O 121.065 0.46 . . . . 0.0 111.034 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.6 tp -98.03 102.6 14.4 Favored 'General case' 0 N--CA 1.407 -2.59 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 171.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 64.5 p -69.86 167.42 17.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.656 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -58.62 -24.68 61.56 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.259 0.552 . . . . 0.0 111.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.95 -19.82 60.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.89 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.09 24.17 15.53 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 121.123 -0.56 . . . . 0.0 111.865 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -106.16 144.79 32.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 42.5 m-85 -101.98 113.31 26.43 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mp -112.6 146.28 38.87 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.451 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.8 mm -94.89 120.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.433 HG22 ' HA ' ' A' ' 46' ' ' ILE . 26.2 pt -125.92 163.99 26.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-O 120.751 0.31 . . . . 0.0 110.698 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.5 131.47 46.11 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 172.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -89.51 125.62 35.26 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -99.9 175.25 5.84 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -67.24 -22.96 65.66 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -176.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -89.91 7.51 36.92 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -88.95 114.17 25.28 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 57.7 mtpt -124.97 143.18 51.02 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG22 HG12 ' A' ' 10' ' ' ILE . 24.4 t -65.26 131.49 31.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-O 120.867 0.365 . . . . 0.0 111.048 -177.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.67 -27.19 18.79 Favored Glycine 0 N--CA 1.432 -1.618 0 C-N-CA 121.226 -0.512 . . . . 0.0 113.828 174.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.6 pt20 -93.7 158.04 15.87 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 117.429 0.615 . . . . 0.0 112.003 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 60.3 tt0 -93.77 121.66 35.45 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.5 m -115.39 156.34 16.44 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.987 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.007 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 m -102.44 116.11 31.95 Favored 'General case' 0 N--CA 1.417 -2.119 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 26.5 p90 -120.26 173.84 6.88 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -109.2 167.97 9.72 Favored 'General case' 0 C--N 1.274 -2.697 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.512 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.04 -22.06 64.98 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.748 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG3' ' OG ' ' A' ' 0' ' ' SER . 43.0 mt-10 -75.69 -15.36 60.31 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.58 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -89.49 -19.45 25.06 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.433 ' HA ' HG22 ' A' ' 27' ' ' ILE . 14.8 mt -76.09 121.1 27.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-O 121.071 0.462 . . . . 0.0 111.399 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -76.72 -25.81 53.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' HA ' ' OXT' ' A' ' 52' ' ' LYS . 3.4 m-20 -76.63 150.9 36.37 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.939 175.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.8 t -93.43 -57.82 4.09 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 175.7 103.76 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.61 -33.98 6.04 Favored Glycine 0 C--N 1.304 -1.229 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' OXT' ' HA ' ' A' ' 48' ' ' ASN . 5.2 tmtm? . . . . . 0 N--CA 1.417 -2.117 0 N-CA-C 102.566 -3.124 . . . . 0.0 102.566 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.54 0.563 0 CA-C-O 121.032 0.444 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' HB2' ' ND2' ' A' ' 43' ' ' ASN . 83.4 mtp -152.76 93.79 1.8 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.987 0.915 . . . . 0.0 108.728 -177.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.411 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 22.3 m120 -57.14 122.84 13.36 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.257 0.551 . . . . 0.0 110.297 173.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.521 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -117.42 152.42 35.02 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -178.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.18 130.74 57.0 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.2 155.97 26.53 Favored Glycine 0 CA--C 1.481 -2.091 0 C-N-CA 119.88 -1.152 . . . . 0.0 111.83 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 56.3 mt -94.67 127.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 -178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.471 HD11 ' HG3' ' A' ' 33' ' ' MET . 34.8 mm -65.32 106.56 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -83.17 -40.3 19.9 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.118 -1.401 . . . . 0.0 109.55 -177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -165.61 160.33 17.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.02 139.51 39.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 74.72 1.34 Allowed 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.05 -104.86 1.41 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.4 mmt -103.75 8.73 37.26 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.149 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 50.7 mtmt -110.27 159.06 17.74 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.46 141.43 45.36 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.6 t -96.22 114.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG23 ' HB2' ' A' ' 25' ' ' LEU . 4.2 m -106.91 131.07 57.79 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.828 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -96.51 102.27 14.03 Favored 'General case' 0 N--CA 1.409 -2.498 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.444 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 28.6 p -65.91 168.12 8.57 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.476 -174.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 p -65.23 -13.95 59.53 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.532 0.682 . . . . 0.0 110.923 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -86.26 -9.07 57.19 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.185 0.994 . . . . 0.0 110.782 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.26 23.65 43.44 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.835 178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -111.87 144.66 40.83 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -97.63 113.04 24.69 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.9 mp -109.93 146.38 35.28 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.1 mm -98.15 120.44 47.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 46' ' ' ILE . 32.3 pt -124.83 171.1 14.12 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-O 120.806 0.336 . . . . 0.0 110.462 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -76.48 132.85 39.83 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -89.87 126.17 35.61 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -104.96 -175.5 2.81 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -73.97 -11.25 60.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 110.371 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.68 -12.8 59.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.948 0.899 . . . . 0.0 110.958 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.471 ' HG3' HD11 ' A' ' 7' ' ' ILE . 1.9 mpt? -95.49 113.02 24.63 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 120.986 0.422 . . . . 0.0 112.022 -174.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 62.5 mtpt -132.66 144.64 50.47 Favored 'General case' 0 N--CA 1.421 -1.909 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.41 128.73 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.998 -173.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.89 -28.79 9.5 Favored Glycine 0 N--CA 1.435 -1.419 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.979 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 11.9 pt20 -93.45 156.79 16.55 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.866 -177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.456 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 35.6 tt0 -88.82 126.57 35.42 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -114.84 162.4 12.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 120.783 0.325 . . . . 0.0 110.75 -178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.79 122.37 47.47 Favored 'General case' 0 N--CA 1.424 -1.755 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 3' ' ' ARG . 27.4 p90 -136.35 169.18 18.09 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.88 175.94 5.32 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.507 ' ND2' ' HB2' ' A' ' 1' ' ' MET . 0.7 OUTLIER -71.42 -28.22 63.84 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.855 178.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -70.57 -18.01 62.91 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.223 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.73 -20.51 39.21 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' HA ' HG22 ' A' ' 27' ' ' ILE . 22.1 mt -74.03 129.36 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.735 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.441 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -72.0 -34.86 69.22 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.941 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' H ' HG22 ' A' ' 46' ' ' ILE . 16.7 m120 -75.71 -55.45 5.63 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.66 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.0 t 54.22 62.0 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 -168.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -87.69 146.84 25.5 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 114.605 -1.18 . . . . 0.0 112.558 -169.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.16 -40.53 0.06 OUTLIER Glycine 0 C--N 1.292 -1.862 0 N-CA-C 104.534 -3.426 . . . . 0.0 104.534 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.9 tttp . . . . . 0 N--CA 1.417 -2.114 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 169.329 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.432 -1.362 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt -87.49 85.87 7.16 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 12.3 m120 -84.57 126.99 33.82 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.36 -178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.0 tpt180 -115.52 154.37 29.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.5 mt -109.97 133.6 53.01 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.27 156.11 26.63 Favored Glycine 0 CA--C 1.483 -1.929 0 C-N-CA 120.212 -0.994 . . . . 0.0 111.983 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 45.3 mt -97.24 128.82 48.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.459 HD13 HG12 ' A' ' 17' ' ' VAL . 30.2 mm -65.32 105.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 177.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -89.03 -35.22 16.49 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.488 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -164.51 168.04 18.76 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -174.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.426 HG21 ' NH1' ' A' ' 29' ' ' ARG . 26.2 mm -124.56 141.25 45.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -129.93 74.72 1.61 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 123.171 0.588 . . . . 0.0 109.795 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 69.55 -111.26 3.77 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 7.7 mmt -98.13 10.76 39.72 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.644 0.735 . . . . 0.0 110.567 178.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 91.5 mttt -114.82 159.08 21.04 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.25 149.51 50.96 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.5 115.4 44.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 HD13 ' A' ' 7' ' ' ILE . 6.6 m -108.93 128.52 64.69 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 CA-C-O 121.086 0.47 . . . . 0.0 111.424 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 tp -91.24 102.08 14.8 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 172.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.522 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 20.7 p -66.37 166.7 11.83 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.28 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -69.59 -5.41 24.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.827 0.822 . . . . 0.0 110.195 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.82 -1.48 40.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.3 20.47 62.41 Favored Glycine 0 C--O 1.222 -0.619 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.29 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -115.59 145.57 42.55 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 117.891 0.846 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -92.99 113.03 25.2 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mp -111.12 141.17 44.97 Favored 'General case' 0 C--N 1.286 -2.172 0 CA-C-O 120.864 0.364 . . . . 0.0 110.245 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -92.75 117.39 36.03 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.89 170.06 16.44 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.934 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -65.89 128.84 37.61 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 123.624 0.577 . . . . 0.0 109.678 173.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' NH1' HG21 ' A' ' 10' ' ' ILE . 12.1 ttt180 -84.05 125.53 32.19 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.561 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 3.0 mpt_? -91.96 165.11 13.38 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -62.9 -31.34 72.38 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -85.88 0.21 53.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -64.35 107.6 1.39 Allowed 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.958 0.408 . . . . 0.0 111.785 -179.23 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE2' ' OE1' ' A' ' 37' ' ' GLN . 35.4 mtmm -113.42 141.66 46.82 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.1 t -72.89 130.23 35.72 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 O-C-N 123.368 0.418 . . . . 0.0 110.648 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.88 -23.69 12.79 Favored Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 116.145 -0.479 . . . . 0.0 113.67 176.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 13.7 pt20 -94.11 153.31 18.19 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 122.313 -0.521 . . . . 0.0 112.297 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.0 tt0 -88.7 126.39 35.29 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 174.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.62 162.54 16.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.918 -176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 m -109.66 125.48 52.66 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 176.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 34.6 p90 -132.03 164.67 25.69 Favored 'General case' 0 CA--C 1.483 -1.61 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -103.16 169.29 8.64 Favored 'General case' 0 C--N 1.282 -2.353 0 O-C-N 123.773 0.671 . . . . 0.0 109.863 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.28 -20.89 60.72 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 120.897 0.379 . . . . 0.0 111.555 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.94 -35.26 80.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.937 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 30' ' ' ARG . 3.6 m-20 -82.46 -7.9 59.63 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.199 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.1 mt -75.78 119.57 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.167 0 CA-C-O 121.507 0.67 . . . . 0.0 110.037 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.524 ' CE2' ' HG2' ' A' ' 14' ' ' LYS . 9.3 m-85 -84.68 -15.72 44.32 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.823 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 48' ' ' ASN . 6.1 m120 -84.11 17.63 2.41 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -178.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -81.86 103.11 8.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -88.64 147.49 24.51 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.023 -177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.25 86.84 0.46 Allowed Glycine 0 N--CA 1.424 -2.118 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.311 -1.092 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.429 ' H2 ' ' CD ' ' A' ' 42' ' ' GLU . 2.9 p . . . . . 0 N--CA 1.431 -1.394 0 CA-C-O 121.075 0.464 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mtm -135.73 83.67 2.03 Favored 'General case' 0 N--CA 1.438 -1.067 0 O-C-N 121.817 -0.552 . . . . 0.0 110.406 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 17.0 m120 -59.3 126.17 26.58 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.201 172.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 6.1 tpt180 -119.1 156.27 30.05 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.5 mt -107.96 132.54 53.4 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -149.79 155.35 26.22 Favored Glycine 0 CA--C 1.477 -2.307 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.789 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 16.0 mt -100.3 130.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.252 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.38 105.55 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-O 121.445 0.64 . . . . 0.0 109.557 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -86.3 -37.44 18.54 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.244 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -162.29 158.02 23.65 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.609 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mm -112.87 137.09 47.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 177.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 75.06 1.3 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.31 -110.75 3.44 Favored Glycine 0 C--O 1.245 0.81 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.4 mtp -104.26 17.85 23.29 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.437 0.637 . . . . 0.0 110.372 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 57.3 mttp -118.29 162.37 18.38 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.29 146.89 45.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 120.651 0.262 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.72 115.65 39.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.7 OUTLIER -109.73 130.31 63.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 CA-C-O 121.058 0.456 . . . . 0.0 111.762 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 24' ' ' PHE . 56.3 tp -90.16 102.24 14.96 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 170.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.476 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 36.0 p -74.49 174.45 8.93 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.8 -172.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -65.46 -11.71 45.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.063 0.945 . . . . 0.0 110.125 174.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -89.86 -10.52 45.01 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.752 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.97 14.77 80.26 Favored Glycine 0 C--O 1.24 0.513 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -104.85 141.71 36.03 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 43.7 m-85 -95.56 113.4 25.04 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 17' ' ' VAL . 10.8 mp -109.63 150.6 28.0 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.091 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mm -100.93 113.76 37.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 46' ' ' ILE . 44.5 pt -123.2 170.55 13.33 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.229 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.35 134.12 50.9 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 173.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -85.05 129.36 34.81 Favored 'General case' 0 C--N 1.288 -2.091 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 87.5 mtt180 -101.98 -176.13 3.04 Favored 'General case' 0 C--N 1.286 -2.159 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -74.49 -33.33 62.8 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.899 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -82.4 11.0 6.01 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.725 0.774 . . . . 0.0 112.095 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -76.52 107.43 8.8 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 121.437 -0.789 . . . . 0.0 110.273 178.461 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HE3' ' NE2' ' A' ' 37' ' ' GLN . 30.4 mtmt -125.7 131.86 52.5 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 t -61.93 120.95 9.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-O 120.916 0.389 . . . . 0.0 110.968 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.1 -28.09 8.19 Favored Glycine 0 N--CA 1.438 -1.197 0 C-N-CA 120.875 -0.678 . . . . 0.0 113.716 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' NE2' ' HE3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -94.42 160.4 14.68 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 51.8 tt0 -95.73 125.92 40.64 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.714 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.18 152.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.475 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.4 m -98.9 115.86 29.82 Favored 'General case' 0 N--CA 1.413 -2.284 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 173.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 50.9 p90 -121.1 172.65 7.81 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CD ' ' H2 ' ' A' ' 0' ' ' SER . 1.7 mm-40 -112.45 175.72 5.32 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 121.176 0.512 . . . . 0.0 111.384 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.2 -21.82 60.59 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.783 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.64 -28.67 62.88 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.914 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.23 -12.62 59.09 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.341 -176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 27' ' ' ILE . 25.6 mt -75.46 122.8 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 CA-C-O 121.267 0.555 . . . . 0.0 110.127 -177.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.5 m-85 -81.53 -21.76 38.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.488 177.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -71.01 134.01 46.8 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 170.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.3 t -71.94 93.21 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -169.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.16 2.82 23.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.038 174.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.45 -159.52 10.03 Favored Glycine 0 N--CA 1.432 -1.631 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.9 mttt . . . . . 0 C--N 1.295 -1.783 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 175.042 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HB2' ' OD1' ' A' ' 43' ' ' ASN . 13.9 mtp -59.13 154.16 16.55 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.833 0.853 . . . . 0.0 112.713 -175.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.604 ' ND2' ' HG3' ' A' ' 42' ' ' GLU . 7.2 m120 -93.71 151.69 19.47 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.387 172.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -139.35 156.48 46.98 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 176.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -122.97 132.05 53.98 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -154.04 155.65 26.32 Favored Glycine 0 CA--C 1.477 -2.306 0 C-N-CA 119.74 -1.219 . . . . 0.0 111.903 177.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 59.9 mt -95.1 129.91 44.59 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.255 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.517 HD11 ' HG3' ' A' ' 33' ' ' MET . 41.2 mm -66.74 108.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -88.37 -34.25 17.66 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.507 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -164.58 153.8 13.3 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.7 mm -118.15 144.98 24.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.53 74.65 1.59 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 175.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.5 -103.18 0.98 Allowed Glycine 0 N--CA 1.439 -1.127 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 mtp -105.78 16.18 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.252 0.549 . . . . 0.0 110.764 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -114.32 153.41 29.82 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 173.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.99 140.64 42.3 Favored 'General case' 0 C--N 1.283 -2.306 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.5 t -96.34 113.15 29.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -105.49 128.54 59.44 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.465 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.0 tp -94.11 101.93 13.96 Favored 'General case' 0 N--CA 1.413 -2.285 0 N-CA-C 104.41 -2.441 . . . . 0.0 104.41 170.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.522 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 33.0 p -63.56 168.29 4.84 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.131 -173.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 p -66.69 -14.41 62.47 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.502 0.668 . . . . 0.0 110.37 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.42 -1.27 57.63 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.467 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.95 29.34 51.79 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.974 -0.557 . . . . 0.0 114.052 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -116.01 148.4 40.19 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 117.525 0.662 . . . . 0.0 110.31 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 54.1 m-85 -98.04 118.19 34.09 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.6 mp -120.83 148.54 43.88 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.661 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mm -96.05 116.04 36.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -120.31 164.09 17.13 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 CA-C-O 120.954 0.407 . . . . 0.0 110.41 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -73.31 120.68 19.25 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 30.4 ttt180 -73.66 131.31 41.52 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.989 -177.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 96.5 mtt180 -96.69 178.09 5.44 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 174.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -63.22 -43.83 97.0 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.06 20.34 1.24 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.54 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -82.98 105.92 14.38 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 118.826 -1.15 . . . . 0.0 109.256 176.484 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -119.28 136.52 54.19 Favored 'General case' 0 N--CA 1.425 -1.72 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.69 124.81 22.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 123.255 0.347 . . . . 0.0 110.693 -176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.83 -29.36 7.21 Favored Glycine 0 N--CA 1.433 -1.521 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.417 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -93.98 155.25 17.24 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.036 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 34.7 tt0 -87.96 125.6 34.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.2 151.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.945 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.85 127.12 50.16 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 30.8 p90 -140.85 -179.87 6.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' HG3' ' ND2' ' A' ' 2' ' ' ASN . 2.2 mp0 -114.73 167.54 10.67 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.543 ' OD1' ' HB2' ' A' ' 1' ' ' MET . 7.6 m120 -64.37 -18.66 64.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.524 0.678 . . . . 0.0 110.73 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -77.2 -17.94 58.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.099 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.47 -24.03 34.42 Favored 'General case' 0 CA--C 1.482 -1.665 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.546 HG22 ' H ' ' A' ' 48' ' ' ASN . 14.1 mt -67.39 139.88 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.715 -176.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -77.56 -3.29 39.96 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.189 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.546 ' H ' HG22 ' A' ' 46' ' ' ILE . 2.6 m-20 -111.89 107.08 15.98 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -177.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.8 t -129.91 160.24 41.14 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -95.51 86.76 4.55 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 121.271 0.558 . . . . 0.0 110.09 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.69 -132.95 2.43 Favored Glycine 0 N--CA 1.435 -1.367 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--N 1.316 -0.877 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.507 177.67 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.239 0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 ptm -175.25 121.08 0.2 Allowed 'General case' 0 C--O 1.253 1.257 0 C-N-CA 124.447 1.099 . . . . 0.0 109.786 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 27.2 m120 -75.22 150.23 38.69 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.888 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 11.8 tpt180 -130.83 156.77 44.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 175.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.69 137.04 47.27 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 120.933 0.397 . . . . 0.0 111.166 -179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -158.26 155.92 26.91 Favored Glycine 0 N--CA 1.42 -2.394 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 174.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 50.4 mt -99.38 127.67 51.89 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.426 HD13 ' CG1' ' A' ' 17' ' ' VAL . 36.7 mm -64.76 110.99 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -91.91 -32.8 15.15 Favored 'General case' 0 C--N 1.284 -2.245 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.274 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -162.7 141.04 8.53 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.3 mm -110.24 131.64 60.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -135.51 89.74 2.54 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.588 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.53 -106.87 1.87 Allowed Glycine 0 N--CA 1.433 -1.555 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.284 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mmt -108.58 12.01 26.28 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.224 0.535 . . . . 0.0 109.922 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 94.2 mttt -114.25 155.46 26.12 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 140.59 45.28 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.202 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.39 119.83 45.95 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' CG1' HD13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -108.75 129.49 63.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 CA-C-O 120.98 0.419 . . . . 0.0 110.896 178.337 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 51.5 tp -92.79 102.1 14.49 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 105.03 -2.211 . . . . 0.0 105.03 171.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.518 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 44.3 p -71.42 175.17 5.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.565 -172.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 p -67.82 -8.37 35.53 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 123.362 0.665 . . . . 0.0 111.188 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -98.17 -0.62 43.91 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.688 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.24 20.35 77.35 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.532 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -101.36 147.18 26.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -99.06 112.78 24.82 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mp -110.46 147.66 33.61 Favored 'General case' 0 C--N 1.286 -2.186 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.38 120.82 47.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.483 HG22 ' HA ' ' A' ' 46' ' ' ILE . 42.1 pt -126.84 164.36 27.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -69.62 132.36 46.08 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.154 174.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.761 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 57.2 ttt180 -78.11 137.76 38.38 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.618 0.723 . . . . 0.0 110.234 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -110.55 173.67 6.22 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -65.81 -41.48 91.84 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.14 0.495 . . . . 0.0 112.152 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -90.55 17.43 7.47 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.063 -175.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.761 ' SD ' ' HA ' ' A' ' 29' ' ' ARG . 43.9 ttm -98.65 106.88 19.2 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -178.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' HB2' ' OE1' ' A' ' 37' ' ' GLN . 2.1 mtpm? -125.62 155.29 40.99 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.16 130.99 35.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 120.581 0.229 . . . . 0.0 110.88 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.15 -27.83 9.8 Favored Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.265 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 34' ' ' LYS . 13.0 pt20 -93.69 147.08 23.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 44.0 tt0 -86.52 117.08 25.07 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.98 154.83 15.3 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 -175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -95.95 116.14 28.49 Favored 'General case' 0 N--CA 1.417 -2.09 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 36.9 p90 -120.03 164.34 16.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.32 166.57 11.65 Favored 'General case' 0 C--N 1.261 -3.251 0 CA-C-O 121.284 0.564 . . . . 0.0 110.222 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -67.39 -20.57 65.56 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.987 0.898 . . . . 0.0 108.836 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -78.39 -12.39 60.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.85 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.15 -18.6 23.28 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' HA ' HG22 ' A' ' 27' ' ' ILE . 18.5 mt -72.84 123.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 -173.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 2.2 m-85 -71.91 -27.8 63.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.841 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 46' ' ' ILE . 15.7 m120 -74.19 93.55 2.34 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 173.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.5 t -70.61 105.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-O 121.343 0.592 . . . . 0.0 111.096 -175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -106.4 136.94 45.27 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.38 -169.48 29.67 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.308 -1.216 0 CA-C-N 116.689 0.244 . . . . 0.0 111.345 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 CA--C 1.547 0.845 0 CA-C-O 121.032 0.444 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.4 mtp -145.0 81.83 1.65 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 19.7 m120 -65.43 134.37 53.32 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.291 0.567 . . . . 0.0 112.036 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.473 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.1 tpt180 -122.05 156.41 33.6 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.2 mt -112.47 130.98 55.8 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 19' ' ' THR . . . -153.18 156.33 26.67 Favored Glycine 0 CA--C 1.478 -2.244 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.985 178.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 39.6 mt -100.67 130.98 49.14 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.193 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' A' ' 33' ' ' MET . 32.6 mm -65.27 107.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-O 121.496 0.665 . . . . 0.0 109.935 178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -85.6 -40.22 16.48 Favored 'General case' 0 N--CA 1.418 -2.065 0 CA-C-N 114.318 -1.31 . . . . 0.0 108.723 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -162.78 161.09 26.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG21 ' NH1' ' A' ' 29' ' ' ARG . 28.2 mm -120.29 144.1 30.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.14 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.33 74.43 1.55 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.25 -101.31 0.42 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.063 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 mmt -98.9 4.79 47.49 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.184 0.516 . . . . 0.0 111.197 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -113.79 155.67 25.24 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.15 143.8 44.68 Favored 'General case' 0 C--N 1.287 -2.112 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.77 112.8 33.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 m -108.67 123.82 64.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 CA-C-O 121.21 0.529 . . . . 0.0 111.295 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.3 tp -89.93 102.82 15.53 Favored 'General case' 0 N--CA 1.419 -2.009 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.546 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 21.2 p -64.71 162.45 15.86 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.493 -175.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 p -66.39 -10.33 42.47 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.837 0.827 . . . . 0.0 110.743 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' CD ' HH21 ' A' ' 3' ' ' ARG . 36.4 mt-10 -100.72 0.42 38.9 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.928 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.69 18.22 55.12 Favored Glycine 0 C--N 1.332 0.336 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -107.32 140.9 39.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 117.298 0.549 . . . . 0.0 110.309 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -96.2 113.41 25.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 mp -111.28 148.81 32.1 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -103.93 115.25 45.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 46' ' ' ILE . 26.9 pt -124.07 170.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-O 120.842 0.353 . . . . 0.0 111.222 -176.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.455 ' HG2' ' CZ ' ' A' ' 47' ' ' TYR . 77.3 mtt180 -69.6 128.94 38.26 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 172.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' NH1' HG21 ' A' ' 10' ' ' ILE . 7.9 ttt180 -83.28 120.34 25.72 Favored 'General case' 0 C--N 1.291 -1.94 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.748 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HB2' ' SD ' ' A' ' 33' ' ' MET . 98.7 mtt180 -91.19 173.83 7.72 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -73.52 -8.54 56.34 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.917 0.389 . . . . 0.0 111.769 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -79.01 -43.67 23.84 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.292 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' ' 30' ' ' ARG . 1.4 mpt? -50.52 112.78 0.75 Allowed 'General case' 0 C--O 1.244 0.794 0 C-N-CA 125.622 1.569 . . . . 0.0 114.541 -173.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -119.47 140.83 49.82 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 174.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.432 ' HA ' ' CG2' ' A' ' 7' ' ' ILE . 17.2 t -64.6 122.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.76 0.314 . . . . 0.0 111.159 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.9 -22.91 22.71 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.783 178.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -93.25 154.2 18.15 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.384 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 28.3 tt0 -85.26 128.95 34.88 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 m -120.37 156.93 23.29 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.108 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 t -104.44 116.25 31.78 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 3' ' ' ARG . 43.5 p90 -121.1 178.51 4.72 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -116.27 169.91 8.93 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-O 121.219 0.533 . . . . 0.0 111.737 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 2.6 m-80 -78.07 -22.84 48.45 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.459 177.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -82.65 -3.26 55.99 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.693 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 1.1 m-20 -102.29 -10.29 19.64 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 27' ' ' ILE . 72.4 mt -75.12 125.92 35.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 CA-C-O 121.036 0.446 . . . . 0.0 110.218 -177.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' CZ ' ' HG2' ' A' ' 28' ' ' ARG . 1.7 m-85 -81.99 -18.24 44.09 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.625 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -67.53 129.51 40.12 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.556 -2.016 . . . . 0.0 105.556 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 t -70.63 91.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-O 121.833 0.825 . . . . 0.0 112.773 -172.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.7 126.05 3.83 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 173.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.38 57.21 0.59 Allowed Glycine 0 N--CA 1.428 -1.834 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 -176.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? . . . . . 0 C--N 1.308 -1.229 0 CA-C-O 119.124 -0.465 . . . . 0.0 110.399 -177.649 . . . . . . . . 0 0 . 1 stop_ save_